smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838525 720547882 /nfs/dbraw/zinc/54/78/82/720547882.db2.gz OGXWREKRIWFRHZ-ZRCGQRJVSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838525 720547897 /nfs/dbraw/zinc/54/78/97/720547897.db2.gz OGXWREKRIWFRHZ-ZRCGQRJVSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1cc(C)c(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(C)c1 ZINC000570927179 823108373 /nfs/dbraw/zinc/10/83/73/823108373.db2.gz SGWUMENYGCJNIF-JOCHJYFZSA-N 2 2 391.559 4.337 20 0 GIADLP Cc1cc(C)c(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(C)c1 ZINC000570927179 823108375 /nfs/dbraw/zinc/10/83/75/823108375.db2.gz SGWUMENYGCJNIF-JOCHJYFZSA-N 2 2 391.559 4.337 20 0 GIADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000570977609 823114819 /nfs/dbraw/zinc/11/48/19/823114819.db2.gz AKYDFKIGHQKSJT-LBPRGKRZSA-N 2 2 379.264 4.289 20 0 GIADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000570977609 823114821 /nfs/dbraw/zinc/11/48/21/823114821.db2.gz AKYDFKIGHQKSJT-LBPRGKRZSA-N 2 2 379.264 4.289 20 0 GIADLP Fc1cccc(-n2cccn2)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571324922 823165427 /nfs/dbraw/zinc/16/54/27/823165427.db2.gz FYKYGJQJIMXLIQ-FQEVSTJZSA-N 2 2 390.506 4.298 20 0 GIADLP Fc1cccc(-n2cccn2)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571324922 823165430 /nfs/dbraw/zinc/16/54/30/823165430.db2.gz FYKYGJQJIMXLIQ-FQEVSTJZSA-N 2 2 390.506 4.298 20 0 GIADLP CC[N@H+](CCc1c[nH+]cn1C)[C@H]1CCSc2ccc(Br)cc21 ZINC000459341627 823165493 /nfs/dbraw/zinc/16/54/93/823165493.db2.gz PZJKIRLKSFCXHZ-INIZCTEOSA-N 2 2 380.355 4.284 20 0 GIADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@H]1CCSc2ccc(Br)cc21 ZINC000459341627 823165495 /nfs/dbraw/zinc/16/54/95/823165495.db2.gz PZJKIRLKSFCXHZ-INIZCTEOSA-N 2 2 380.355 4.284 20 0 GIADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1Sc1ccccc1 ZINC000459361992 823172251 /nfs/dbraw/zinc/17/22/51/823172251.db2.gz GEMNKONVJLIMPO-DNVJHFABSA-N 2 2 393.556 4.359 20 0 GIADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)[C@H](C[NH3+])C1 ZINC000571403545 823178044 /nfs/dbraw/zinc/17/80/44/823178044.db2.gz LFQCBHGQHNRRFF-HOTGVXAUSA-N 2 2 384.467 4.372 20 0 GIADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)[C@H](C[NH3+])C1 ZINC000571403545 823178047 /nfs/dbraw/zinc/17/80/47/823178047.db2.gz LFQCBHGQHNRRFF-HOTGVXAUSA-N 2 2 384.467 4.372 20 0 GIADLP CCCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000459404211 823185449 /nfs/dbraw/zinc/18/54/49/823185449.db2.gz RPJQDWDSWWXNEF-HSZRJFAPSA-N 2 2 398.595 4.001 20 0 GIADLP COCc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000459548188 823217625 /nfs/dbraw/zinc/21/76/25/823217625.db2.gz UTAWQAWVRBOECH-PCNOZBDPSA-N 2 2 389.927 4.178 20 0 GIADLP COCc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000459548188 823217629 /nfs/dbraw/zinc/21/76/29/823217629.db2.gz UTAWQAWVRBOECH-PCNOZBDPSA-N 2 2 389.927 4.178 20 0 GIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000020683456 818629860 /nfs/dbraw/zinc/62/98/60/818629860.db2.gz KDHAAUSGBDDTON-JOCHJYFZSA-N 2 2 390.531 4.122 20 0 GIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000020683456 818629867 /nfs/dbraw/zinc/62/98/67/818629867.db2.gz KDHAAUSGBDDTON-JOCHJYFZSA-N 2 2 390.531 4.122 20 0 GIADLP COCCC1(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CCCCC1 ZINC000189231684 823379124 /nfs/dbraw/zinc/37/91/24/823379124.db2.gz SRNPTFFKXHXHNO-NRFANRHFSA-N 2 2 388.596 4.463 20 0 GIADLP C[N@H+](CCOc1cccc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259010 823412372 /nfs/dbraw/zinc/41/23/72/823412372.db2.gz GYDPGEZSUIJBFM-UHFFFAOYSA-N 2 2 389.543 4.253 20 0 GIADLP C[N@@H+](CCOc1cccc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259010 823412376 /nfs/dbraw/zinc/41/23/76/823412376.db2.gz GYDPGEZSUIJBFM-UHFFFAOYSA-N 2 2 389.543 4.253 20 0 GIADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)cc1C ZINC000026309312 820080782 /nfs/dbraw/zinc/08/07/82/820080782.db2.gz WKNPCBQGCCDZFK-UHFFFAOYSA-N 2 2 385.515 4.202 20 0 GIADLP Cn1cc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c2cccc(F)c2)cn1 ZINC000180629356 821375191 /nfs/dbraw/zinc/37/51/91/821375191.db2.gz NFILNNRHIIEBBO-WTNAPCKOSA-N 2 2 398.551 4.383 20 0 GIADLP Cn1cc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c2cccc(F)c2)cn1 ZINC000180629356 821375198 /nfs/dbraw/zinc/37/51/98/821375198.db2.gz NFILNNRHIIEBBO-WTNAPCKOSA-N 2 2 398.551 4.383 20 0 GIADLP Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)C2)cc1 ZINC000181828246 822009307 /nfs/dbraw/zinc/00/93/07/822009307.db2.gz IVSDPCRQBPZOBK-DEOSSOPVSA-N 2 2 388.559 4.090 20 0 GIADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc4ccccc4n3)cc2)CC1 ZINC000178132925 822328385 /nfs/dbraw/zinc/32/83/85/822328385.db2.gz VZIIKMKZHCQFOY-HXUWFJFHSA-N 2 2 388.559 4.223 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000178149161 822333734 /nfs/dbraw/zinc/33/37/34/822333734.db2.gz SNSVSNKTRBBPPA-UZLBHIALSA-N 2 2 393.453 4.023 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000178149161 822333744 /nfs/dbraw/zinc/33/37/44/822333744.db2.gz SNSVSNKTRBBPPA-UZLBHIALSA-N 2 2 393.453 4.023 20 0 GIADLP COc1ccccc1N1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000178231402 822356893 /nfs/dbraw/zinc/35/68/93/822356893.db2.gz PDVRFPDVLUXFOA-GOSISDBHSA-N 2 2 376.504 4.201 20 0 GIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)CCOCC1)c1ccccc1 ZINC000178534642 822388904 /nfs/dbraw/zinc/38/89/04/822388904.db2.gz QHKGHKARVMHHNI-RBUKOAKNSA-N 2 2 380.532 4.172 20 0 GIADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000183258730 822449571 /nfs/dbraw/zinc/44/95/71/822449571.db2.gz FZHXHYNAOYTSNL-HUUCEWRRSA-N 2 2 377.454 4.268 20 0 GIADLP C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000183258714 822449586 /nfs/dbraw/zinc/44/95/86/822449586.db2.gz FZHXHYNAOYTSNL-LSDHHAIUSA-N 2 2 377.454 4.268 20 0 GIADLP Fc1ccc([C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc2)nc1 ZINC000183337629 822460622 /nfs/dbraw/zinc/46/06/22/822460622.db2.gz OUGWPMRQHLNQSS-DEOSSOPVSA-N 2 2 386.474 4.387 20 0 GIADLP CC[N@@H+](Cc1cnn(Cc2ccccc2)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000179435214 822482202 /nfs/dbraw/zinc/48/22/02/822482202.db2.gz MAMSQTHCVMJQEN-UHFFFAOYSA-N 2 2 389.547 4.065 20 0 GIADLP CC[N@H+](Cc1cnn(Cc2ccccc2)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000179435214 822482204 /nfs/dbraw/zinc/48/22/04/822482204.db2.gz MAMSQTHCVMJQEN-UHFFFAOYSA-N 2 2 389.547 4.065 20 0 GIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cnn2ccccc12 ZINC000179696724 822529607 /nfs/dbraw/zinc/52/96/07/822529607.db2.gz QRYONGDZSSADNK-UHFFFAOYSA-N 2 2 389.503 4.022 20 0 GIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cnn2ccccc12 ZINC000179696724 822529610 /nfs/dbraw/zinc/52/96/10/822529610.db2.gz QRYONGDZSSADNK-UHFFFAOYSA-N 2 2 389.503 4.022 20 0 GIADLP Brc1ccc2[nH]c(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cc2c1 ZINC000183826343 822532830 /nfs/dbraw/zinc/53/28/30/822532830.db2.gz KEGPMPXBRDICFC-UHFFFAOYSA-N 2 2 381.277 4.406 20 0 GIADLP COc1ccc(OCc2ccccn2)c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000184332307 822616833 /nfs/dbraw/zinc/61/68/33/822616833.db2.gz QWFLGQZNVYWDHB-IBGZPJMESA-N 2 2 383.536 4.023 20 0 GIADLP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000180445835 822683412 /nfs/dbraw/zinc/68/34/12/822683412.db2.gz RQFBZQPCBNBNTQ-DYXWJJEUSA-N 2 2 399.604 4.319 20 0 GIADLP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000180445835 822683415 /nfs/dbraw/zinc/68/34/15/822683415.db2.gz RQFBZQPCBNBNTQ-DYXWJJEUSA-N 2 2 399.604 4.319 20 0 GIADLP Cc1cc([C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccccc2Cl)ccc1F ZINC000180464355 822686823 /nfs/dbraw/zinc/68/68/23/822686823.db2.gz CAHRULRILCBTKC-JTSKRJEESA-N 2 2 389.946 4.102 20 0 GIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000174294709 822765277 /nfs/dbraw/zinc/76/52/77/822765277.db2.gz VVAZUJBUDSEQAI-IBGZPJMESA-N 2 2 395.547 4.055 20 0 GIADLP CC[N@@H+](Cc1cn2cc(Cl)ccc2n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391401 822782732 /nfs/dbraw/zinc/78/27/32/822782732.db2.gz LKTFCTSFHIUGSO-UHFFFAOYSA-N 2 2 383.927 4.121 20 0 GIADLP CC[N@H+](Cc1cn2cc(Cl)ccc2n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391401 822782733 /nfs/dbraw/zinc/78/27/33/822782733.db2.gz LKTFCTSFHIUGSO-UHFFFAOYSA-N 2 2 383.927 4.121 20 0 GIADLP CC(=O)N(c1nc(C[NH2+]CCCCn2cc[nH+]c2C)cs1)c1ccc(C)cc1 ZINC000174453440 822792043 /nfs/dbraw/zinc/79/20/43/822792043.db2.gz MVUZJBIAMHERER-UHFFFAOYSA-N 2 2 397.548 4.211 20 0 GIADLP C[N@H+](CCSc1ccc(Cl)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658021 822819468 /nfs/dbraw/zinc/81/94/68/822819468.db2.gz BGHJIKIKZNBRQK-UHFFFAOYSA-N 2 2 389.996 4.466 20 0 GIADLP C[N@@H+](CCSc1ccc(Cl)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658021 822819474 /nfs/dbraw/zinc/81/94/74/822819474.db2.gz BGHJIKIKZNBRQK-UHFFFAOYSA-N 2 2 389.996 4.466 20 0 GIADLP CCOc1ccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)co2)cc1 ZINC000185768150 822819476 /nfs/dbraw/zinc/81/94/76/822819476.db2.gz SAOZRQZTVLBGEO-MJGOQNOKSA-N 2 2 383.536 4.483 20 0 GIADLP CCOc1ccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)co2)cc1 ZINC000185768150 822819479 /nfs/dbraw/zinc/81/94/79/822819479.db2.gz SAOZRQZTVLBGEO-MJGOQNOKSA-N 2 2 383.536 4.483 20 0 GIADLP CCn1ccnc1C[N@H+](Cc1cc2cc(C)c(C)cc2o1)[C@@H]1CC12CC[NH2+]CC2 ZINC000569485125 822928469 /nfs/dbraw/zinc/92/84/69/822928469.db2.gz HHPXJICLICSHKQ-JOCHJYFZSA-N 2 2 392.547 4.410 20 0 GIADLP CCn1ccnc1C[N@@H+](Cc1cc2cc(C)c(C)cc2o1)[C@@H]1CC12CC[NH2+]CC2 ZINC000569485125 822928471 /nfs/dbraw/zinc/92/84/71/822928471.db2.gz HHPXJICLICSHKQ-JOCHJYFZSA-N 2 2 392.547 4.410 20 0 GIADLP Cc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(Cl)c1 ZINC000570046366 823000459 /nfs/dbraw/zinc/00/04/59/823000459.db2.gz XSKRSZWAWYSKDP-IBGZPJMESA-N 2 2 397.950 4.374 20 0 GIADLP Cc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(Cl)c1 ZINC000570046366 823000461 /nfs/dbraw/zinc/00/04/61/823000461.db2.gz XSKRSZWAWYSKDP-IBGZPJMESA-N 2 2 397.950 4.374 20 0 GIADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411245460 823560093 /nfs/dbraw/zinc/56/00/93/823560093.db2.gz WMCTVDNKWIHEEL-UHFFFAOYSA-N 2 2 398.576 4.367 20 0 GIADLP CC[NH+]1CC[C@H]([NH+](C)CC[C@@H](C)CC[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000411302555 823563479 /nfs/dbraw/zinc/56/34/79/823563479.db2.gz FWNJHZQVYCSCNV-QXHWAKKDSA-N 4 2 394.692 4.012 20 0 GIADLP CC[NH+]1CC[C@H]([NH+](C)CC[C@@H](C)CC[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000411302555 823563484 /nfs/dbraw/zinc/56/34/84/823563484.db2.gz FWNJHZQVYCSCNV-QXHWAKKDSA-N 4 2 394.692 4.012 20 0 GIADLP CC[NH+]1CC[C@H]([NH+](C)CC[C@@H](C)CC[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000411302555 823563487 /nfs/dbraw/zinc/56/34/87/823563487.db2.gz FWNJHZQVYCSCNV-QXHWAKKDSA-N 4 2 394.692 4.012 20 0 GIADLP CC[NH+]1CC[C@H]([NH+](C)CC[C@@H](C)CC[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000411302555 823563492 /nfs/dbraw/zinc/56/34/92/823563492.db2.gz FWNJHZQVYCSCNV-QXHWAKKDSA-N 4 2 394.692 4.012 20 0 GIADLP Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[NH2+]CCn1cc[nH+]c1 ZINC000061014640 823572985 /nfs/dbraw/zinc/57/29/85/823572985.db2.gz YCIPUZHCVIDNIS-UHFFFAOYSA-N 2 2 398.725 4.186 20 0 GIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2ncco2)cc1F ZINC000411552177 823587520 /nfs/dbraw/zinc/58/75/20/823587520.db2.gz OMMRLSAAAWOUKM-HTAPYJJXSA-N 2 2 379.479 4.481 20 0 GIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2ncco2)cc1F ZINC000411552177 823587524 /nfs/dbraw/zinc/58/75/24/823587524.db2.gz OMMRLSAAAWOUKM-HTAPYJJXSA-N 2 2 379.479 4.481 20 0 GIADLP CCc1sc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124569815 823607348 /nfs/dbraw/zinc/60/73/48/823607348.db2.gz UHWANMZNXIIOQO-RTBURBONSA-N 2 2 391.625 4.028 20 0 GIADLP CCc1sc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124569815 823607350 /nfs/dbraw/zinc/60/73/50/823607350.db2.gz UHWANMZNXIIOQO-RTBURBONSA-N 2 2 391.625 4.028 20 0 GIADLP Cc1ccc2oc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000124676304 823616296 /nfs/dbraw/zinc/61/62/96/823616296.db2.gz WBNGSCSDWOPQKB-SFTDATJTSA-N 2 2 397.563 4.150 20 0 GIADLP Cc1ccc2oc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000124676304 823616298 /nfs/dbraw/zinc/61/62/98/823616298.db2.gz WBNGSCSDWOPQKB-SFTDATJTSA-N 2 2 397.563 4.150 20 0 GIADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254475 823626757 /nfs/dbraw/zinc/62/67/57/823626757.db2.gz SLIRDMNXOKEOPV-ZDUSSCGKSA-N 2 2 378.307 4.110 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000191481508 823689513 /nfs/dbraw/zinc/68/95/13/823689513.db2.gz GPXOUXNWNBIRRE-UHFFFAOYSA-N 2 2 395.526 4.171 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000191481508 823689514 /nfs/dbraw/zinc/68/95/14/823689514.db2.gz GPXOUXNWNBIRRE-UHFFFAOYSA-N 2 2 395.526 4.171 20 0 GIADLP CCOc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc(Cl)c1O ZINC000574378959 823713962 /nfs/dbraw/zinc/71/39/62/823713962.db2.gz OEIMMCJKENWTDD-UHFFFAOYSA-N 2 2 389.927 4.357 20 0 GIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574462647 823736558 /nfs/dbraw/zinc/73/65/58/823736558.db2.gz IGWWSVFNCAZEDZ-OAQYLSRUSA-N 2 2 398.510 4.062 20 0 GIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574462647 823736567 /nfs/dbraw/zinc/73/65/67/823736567.db2.gz IGWWSVFNCAZEDZ-OAQYLSRUSA-N 2 2 398.510 4.062 20 0 GIADLP COc1cc2[nH+]ccc(N3CCC(CCCn4cc[nH+]c4)CC3)c2cc1OC ZINC000413241417 823736668 /nfs/dbraw/zinc/73/66/68/823736668.db2.gz KLAPFRJPOQJVBI-UHFFFAOYSA-N 2 2 380.492 4.145 20 0 GIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574462646 823736965 /nfs/dbraw/zinc/73/69/65/823736965.db2.gz IGWWSVFNCAZEDZ-NRFANRHFSA-N 2 2 398.510 4.062 20 0 GIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574462646 823736970 /nfs/dbraw/zinc/73/69/70/823736970.db2.gz IGWWSVFNCAZEDZ-NRFANRHFSA-N 2 2 398.510 4.062 20 0 GIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCCO2 ZINC000163723192 823741307 /nfs/dbraw/zinc/74/13/07/823741307.db2.gz WEOUEIRYSQBNQU-QHCPKHFHSA-N 2 2 380.532 4.139 20 0 GIADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163736645 823743179 /nfs/dbraw/zinc/74/31/79/823743179.db2.gz SWCSBOIPJWKKOC-MRXNPFEDSA-N 2 2 387.593 4.432 20 0 GIADLP CC[N@H+](Cn1nc([C@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S)[C@H](C)C(C)C ZINC000064111939 823748132 /nfs/dbraw/zinc/74/81/32/823748132.db2.gz OITZYBAEAUGLJD-CVEARBPZSA-N 2 2 393.576 4.489 20 0 GIADLP CC[N@@H+](Cn1nc([C@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S)[C@H](C)C(C)C ZINC000064111939 823748140 /nfs/dbraw/zinc/74/81/40/823748140.db2.gz OITZYBAEAUGLJD-CVEARBPZSA-N 2 2 393.576 4.489 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nccn2CCc2ccccc2)cc1 ZINC000164280888 823792709 /nfs/dbraw/zinc/79/27/09/823792709.db2.gz GMVVSKRYWUEGDT-LJQANCHMSA-N 2 2 385.515 4.471 20 0 GIADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000164450937 823803710 /nfs/dbraw/zinc/80/37/10/823803710.db2.gz XBYIUDMGOKVSBW-KRWDZBQOSA-N 2 2 379.976 4.092 20 0 GIADLP C[NH+]1CCC(CNC(=O)c2ccc(C3CCCC3)cc2)([NH+]2CCCCC2)CC1 ZINC000574849392 823842012 /nfs/dbraw/zinc/84/20/12/823842012.db2.gz CUWIFIJIJPUUHT-UHFFFAOYSA-N 2 2 383.580 4.024 20 0 GIADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1cccc(C(F)(F)F)c1 ZINC000126416919 823861939 /nfs/dbraw/zinc/86/19/39/823861939.db2.gz KWGKTFQCQCBINA-GOSISDBHSA-N 2 2 390.409 4.072 20 0 GIADLP CCOc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC ZINC000574943593 823867111 /nfs/dbraw/zinc/86/71/11/823867111.db2.gz APHXSYTUODZASB-XMMPIXPASA-N 2 2 380.532 4.192 20 0 GIADLP CCOc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC ZINC000574943593 823867115 /nfs/dbraw/zinc/86/71/15/823867115.db2.gz APHXSYTUODZASB-XMMPIXPASA-N 2 2 380.532 4.192 20 0 GIADLP CCOc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC000574943593 823867117 /nfs/dbraw/zinc/86/71/17/823867117.db2.gz APHXSYTUODZASB-XMMPIXPASA-N 2 2 380.532 4.192 20 0 GIADLP CCOc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC000574943593 823867121 /nfs/dbraw/zinc/86/71/21/823867121.db2.gz APHXSYTUODZASB-XMMPIXPASA-N 2 2 380.532 4.192 20 0 GIADLP COc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C(C)C)c(Br)c1 ZINC000574995010 823882088 /nfs/dbraw/zinc/88/20/88/823882088.db2.gz SLUSAWIBGXJZOI-XIKOKIGWSA-N 2 2 378.314 4.025 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)cn1 ZINC000126507800 823887068 /nfs/dbraw/zinc/88/70/68/823887068.db2.gz HCLYGZYPRVWYSS-GOSISDBHSA-N 2 2 388.393 4.251 20 0 GIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105326 823910917 /nfs/dbraw/zinc/91/09/17/823910917.db2.gz GODCFBPQYHPKEY-DYESRHJHSA-N 2 2 393.556 4.228 20 0 GIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105326 823910923 /nfs/dbraw/zinc/91/09/23/823910923.db2.gz GODCFBPQYHPKEY-DYESRHJHSA-N 2 2 393.556 4.228 20 0 GIADLP COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(F)c1 ZINC000126669465 823923329 /nfs/dbraw/zinc/92/33/29/823923329.db2.gz YHCBFUAHLVZCOV-HOTGVXAUSA-N 2 2 389.490 4.137 20 0 GIADLP CCOc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OCc1c(F)cccc1Cl ZINC000575401067 823967062 /nfs/dbraw/zinc/96/70/62/823967062.db2.gz FTWAVKCNHSDXOA-UHFFFAOYSA-N 2 2 392.902 4.380 20 0 GIADLP CC[NH+](CC)CCOc1ccccc1-c1noc(-c2ccn3c(C)c[nH+]c3c2)n1 ZINC000575816518 824002392 /nfs/dbraw/zinc/00/23/92/824002392.db2.gz SENUXZVGVALCCI-UHFFFAOYSA-N 2 2 391.475 4.080 20 0 GIADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(Cl)c(Cl)cc1O ZINC000192616121 824046255 /nfs/dbraw/zinc/04/62/55/824046255.db2.gz KZXPJTNRAPVWJZ-AWEZNQCLSA-N 2 2 395.330 4.382 20 0 GIADLP Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000036286986 205010231 /nfs/dbraw/zinc/01/02/31/205010231.db2.gz QVIIDWWABZYHCA-UHFFFAOYSA-N 2 2 399.529 4.158 20 0 GIADLP CCSc1cc[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164795220 721503302 /nfs/dbraw/zinc/50/33/02/721503302.db2.gz HIPMTQFLGIWAMG-UHFFFAOYSA-N 2 2 382.577 4.470 20 0 GIADLP CCSc1cc[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164795220 721503305 /nfs/dbraw/zinc/50/33/05/721503305.db2.gz HIPMTQFLGIWAMG-UHFFFAOYSA-N 2 2 382.577 4.470 20 0 GIADLP Cc1cccc2cc[nH+]c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164906522 721561386 /nfs/dbraw/zinc/56/13/86/721561386.db2.gz JRVUNEHZCKBGNQ-TZIWHRDSSA-N 2 2 377.463 4.024 20 0 GIADLP Cc1cccc2cc[nH+]c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164906522 721561387 /nfs/dbraw/zinc/56/13/87/721561387.db2.gz JRVUNEHZCKBGNQ-TZIWHRDSSA-N 2 2 377.463 4.024 20 0 GIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C3CC3)cc[nH+]2)CC1 ZINC001165023245 721841652 /nfs/dbraw/zinc/84/16/52/721841652.db2.gz ZDBRVWKWDLVDNK-UHFFFAOYSA-N 2 2 381.520 4.077 20 0 GIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001165022785 721843406 /nfs/dbraw/zinc/84/34/06/721843406.db2.gz UMDOZAIEIJGAOZ-UHFFFAOYSA-N 2 2 398.551 4.026 20 0 GIADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000056156179 823091115 /nfs/dbraw/zinc/09/11/15/823091115.db2.gz ZSFAHWKXXPIWFJ-CYFREDJKSA-N 2 2 391.559 4.028 20 0 GIADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000056156179 823091120 /nfs/dbraw/zinc/09/11/20/823091120.db2.gz ZSFAHWKXXPIWFJ-CYFREDJKSA-N 2 2 391.559 4.028 20 0 GIADLP FC(F)Oc1ccc(Br)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000120970824 823095234 /nfs/dbraw/zinc/09/52/34/823095234.db2.gz UNQOLOAAGLJIFC-UHFFFAOYSA-N 2 2 389.284 4.015 20 0 GIADLP CCC[NH+]1CCC(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000570869655 823099383 /nfs/dbraw/zinc/09/93/83/823099383.db2.gz AUZPZRXPGMEFHC-UHFFFAOYSA-N 2 2 395.551 4.130 20 0 GIADLP Oc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1Br ZINC000459371983 823175196 /nfs/dbraw/zinc/17/51/96/823175196.db2.gz HQHQTXOKFTZFSJ-UHFFFAOYSA-N 2 2 389.337 4.430 20 0 GIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000571488408 823190566 /nfs/dbraw/zinc/19/05/66/823190566.db2.gz MXTAFXUZPFAFRT-UHFFFAOYSA-N 2 2 379.464 4.128 20 0 GIADLP Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000459729074 823257604 /nfs/dbraw/zinc/25/76/04/823257604.db2.gz GEZAUWAPAFMUJI-ZKGSSEMHSA-N 2 2 393.550 4.010 20 0 GIADLP Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000459729074 823257608 /nfs/dbraw/zinc/25/76/08/823257608.db2.gz GEZAUWAPAFMUJI-ZKGSSEMHSA-N 2 2 393.550 4.010 20 0 GIADLP COc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409656104 823275555 /nfs/dbraw/zinc/27/55/55/823275555.db2.gz LRJSXZQSDBKIBI-KRWDZBQOSA-N 2 2 376.504 4.469 20 0 GIADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cc(Cl)sc2Cl)c2ccccc2)CC1 ZINC000572089911 823281813 /nfs/dbraw/zinc/28/18/13/823281813.db2.gz AHSOWOFFQTWIJZ-INIZCTEOSA-N 2 2 384.376 4.133 20 0 GIADLP FC(F)COc1cnccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572120322 823286402 /nfs/dbraw/zinc/28/64/02/823286402.db2.gz QRRZEVOGRCPMEH-LJQANCHMSA-N 2 2 387.474 4.012 20 0 GIADLP FC(F)COc1cnccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572120322 823286409 /nfs/dbraw/zinc/28/64/09/823286409.db2.gz QRRZEVOGRCPMEH-LJQANCHMSA-N 2 2 387.474 4.012 20 0 GIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N(C)[C@@H](C)c3ccccc3)C2)s1 ZINC000572124691 823286681 /nfs/dbraw/zinc/28/66/81/823286681.db2.gz ASYMGJPCCGXXDV-PMACEKPBSA-N 2 2 399.604 4.030 20 0 GIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N(C)[C@@H](C)c3ccccc3)C2)s1 ZINC000572124691 823286687 /nfs/dbraw/zinc/28/66/87/823286687.db2.gz ASYMGJPCCGXXDV-PMACEKPBSA-N 2 2 399.604 4.030 20 0 GIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)[C@@H](C)c3ccccc3)C2)s1 ZINC000572124691 823286693 /nfs/dbraw/zinc/28/66/93/823286693.db2.gz ASYMGJPCCGXXDV-PMACEKPBSA-N 2 2 399.604 4.030 20 0 GIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)[C@@H](C)c3ccccc3)C2)s1 ZINC000572124691 823286698 /nfs/dbraw/zinc/28/66/98/823286698.db2.gz ASYMGJPCCGXXDV-PMACEKPBSA-N 2 2 399.604 4.030 20 0 GIADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000409730004 823292487 /nfs/dbraw/zinc/29/24/87/823292487.db2.gz FURKJFCGCWMERA-SWLSCSKDSA-N 2 2 378.289 4.057 20 0 GIADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000409730004 823292491 /nfs/dbraw/zinc/29/24/91/823292491.db2.gz FURKJFCGCWMERA-SWLSCSKDSA-N 2 2 378.289 4.057 20 0 GIADLP c1cn(-c2ccc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cc2)c[nH+]1 ZINC000572265852 823309765 /nfs/dbraw/zinc/30/97/65/823309765.db2.gz SKNKDKFNMKRTJZ-UHFFFAOYSA-N 3 2 386.543 4.360 20 0 GIADLP c1cn(-c2ccc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cc2)c[nH+]1 ZINC000572265852 823309771 /nfs/dbraw/zinc/30/97/71/823309771.db2.gz SKNKDKFNMKRTJZ-UHFFFAOYSA-N 3 2 386.543 4.360 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1C ZINC000572326533 823321084 /nfs/dbraw/zinc/32/10/84/823321084.db2.gz XUBZBKLAMIJRLW-MDNUFGMLSA-N 2 2 391.559 4.084 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1C ZINC000572326533 823321090 /nfs/dbraw/zinc/32/10/90/823321090.db2.gz XUBZBKLAMIJRLW-MDNUFGMLSA-N 2 2 391.559 4.084 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1C ZINC000572326533 823321096 /nfs/dbraw/zinc/32/10/96/823321096.db2.gz XUBZBKLAMIJRLW-MDNUFGMLSA-N 2 2 391.559 4.084 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1C ZINC000572326533 823321102 /nfs/dbraw/zinc/32/11/02/823321102.db2.gz XUBZBKLAMIJRLW-MDNUFGMLSA-N 2 2 391.559 4.084 20 0 GIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000572327371 823321650 /nfs/dbraw/zinc/32/16/50/823321650.db2.gz DWYOGUPMTVCRJO-QGZVFWFLSA-N 2 2 377.492 4.030 20 0 GIADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000572327371 823321656 /nfs/dbraw/zinc/32/16/56/823321656.db2.gz DWYOGUPMTVCRJO-QGZVFWFLSA-N 2 2 377.492 4.030 20 0 GIADLP Cc1cc(OC[C@@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C(C)C)cc1Cl ZINC000176913276 823323031 /nfs/dbraw/zinc/32/30/31/823323031.db2.gz AVHBZWPGFGBGBI-SFHVURJKSA-N 2 2 391.943 4.045 20 0 GIADLP COc1cc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1OC ZINC000572531592 823355691 /nfs/dbraw/zinc/35/56/91/823355691.db2.gz AJMRTXSSMSBZCI-IHWFROFDSA-N 2 2 384.495 4.128 20 0 GIADLP COc1cc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1OC ZINC000572531592 823355700 /nfs/dbraw/zinc/35/57/00/823355700.db2.gz AJMRTXSSMSBZCI-IHWFROFDSA-N 2 2 384.495 4.128 20 0 GIADLP Cc1sc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1C ZINC000460351167 823361025 /nfs/dbraw/zinc/36/10/25/823361025.db2.gz SFTDPVXRWALGQN-BRLLKYFNSA-N 2 2 399.604 4.358 20 0 GIADLP Cc1sc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1C ZINC000460351167 823361030 /nfs/dbraw/zinc/36/10/30/823361030.db2.gz SFTDPVXRWALGQN-BRLLKYFNSA-N 2 2 399.604 4.358 20 0 GIADLP CN(C(=O)Nc1ccsc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000189300223 823390052 /nfs/dbraw/zinc/39/00/52/823390052.db2.gz LSFWEZALVMRCBX-IRXDYDNUSA-N 2 2 399.004 4.202 20 0 GIADLP CN(C(=O)Nc1ccsc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189300223 823390058 /nfs/dbraw/zinc/39/00/58/823390058.db2.gz LSFWEZALVMRCBX-IRXDYDNUSA-N 2 2 399.004 4.202 20 0 GIADLP CC(C)[C@H](CC1CCCCC1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460488930 823406160 /nfs/dbraw/zinc/40/61/60/823406160.db2.gz JEIIZBUJCJURIE-QFIPXVFZSA-N 2 2 391.644 4.296 20 0 GIADLP C[N@H+](Cc1csc(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258207 823412015 /nfs/dbraw/zinc/41/20/15/823412015.db2.gz WSGZLAWUFOXVKJ-UHFFFAOYSA-N 2 2 394.382 4.045 20 0 GIADLP C[N@@H+](Cc1csc(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258207 823412017 /nfs/dbraw/zinc/41/20/17/823412017.db2.gz WSGZLAWUFOXVKJ-UHFFFAOYSA-N 2 2 394.382 4.045 20 0 GIADLP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410256966 823436494 /nfs/dbraw/zinc/43/64/94/823436494.db2.gz PWWINTJJMQYMIJ-RBBKRZOGSA-N 2 2 394.563 4.009 20 0 GIADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177489014 823474377 /nfs/dbraw/zinc/47/43/77/823474377.db2.gz CVDRZYNDWOOHSV-RBUKOAKNSA-N 2 2 389.584 4.006 20 0 GIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000181586904 821891379 /nfs/dbraw/zinc/89/13/79/821891379.db2.gz IPKPWQWHCKDMHP-MSOLQXFVSA-N 2 2 381.520 4.119 20 0 GIADLP COCc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)ccc1OC ZINC000181592029 821893812 /nfs/dbraw/zinc/89/38/12/821893812.db2.gz RBRPWFMCMYLEBH-QZTJIDSGSA-N 2 2 383.536 4.113 20 0 GIADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)CCCO2 ZINC000181593113 821894486 /nfs/dbraw/zinc/89/44/86/821894486.db2.gz ZNFQNWGTTTYQGT-VGOFRKELSA-N 2 2 381.520 4.119 20 0 GIADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000181660362 821928459 /nfs/dbraw/zinc/92/84/59/821928459.db2.gz BBUMKYGTOMAHRV-CQSZACIVSA-N 2 2 395.341 4.347 20 0 GIADLP CC(C)[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000182009283 822060970 /nfs/dbraw/zinc/06/09/70/822060970.db2.gz ZSYYREWCJXMYHS-FQEVSTJZSA-N 2 2 390.934 4.113 20 0 GIADLP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691938 822352739 /nfs/dbraw/zinc/35/27/39/822352739.db2.gz AMLPGDFNPVAXRX-QRWLVFNGSA-N 2 2 380.504 4.216 20 0 GIADLP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691938 822352748 /nfs/dbraw/zinc/35/27/48/822352748.db2.gz AMLPGDFNPVAXRX-QRWLVFNGSA-N 2 2 380.504 4.216 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178301348 822364970 /nfs/dbraw/zinc/36/49/70/822364970.db2.gz FGILRCKHBUKUJZ-XXBNENTESA-N 2 2 388.515 4.269 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178301348 822364973 /nfs/dbraw/zinc/36/49/73/822364973.db2.gz FGILRCKHBUKUJZ-XXBNENTESA-N 2 2 388.515 4.269 20 0 GIADLP C[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183104201 822424895 /nfs/dbraw/zinc/42/48/95/822424895.db2.gz MPGQOOMIHNDULT-NVXWUHKLSA-N 2 2 399.560 4.281 20 0 GIADLP C[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183104201 822424896 /nfs/dbraw/zinc/42/48/96/822424896.db2.gz MPGQOOMIHNDULT-NVXWUHKLSA-N 2 2 399.560 4.281 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ncc(Br)s1 ZINC000179198406 822449740 /nfs/dbraw/zinc/44/97/40/822449740.db2.gz CJBSZXBHNNYGKT-CYBMUJFWSA-N 2 2 380.355 4.352 20 0 GIADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000183302083 822455654 /nfs/dbraw/zinc/45/56/54/822455654.db2.gz OOLJDRROZRYHCL-UHFFFAOYSA-N 2 2 383.499 4.290 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000179528065 822497560 /nfs/dbraw/zinc/49/75/60/822497560.db2.gz YSJLLEXVUGCVMU-INIZCTEOSA-N 2 2 375.451 4.356 20 0 GIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ncc(C(C)C)s2)CC1 ZINC000183733796 822518449 /nfs/dbraw/zinc/51/84/49/822518449.db2.gz APKQVIKANRUATO-MRXNPFEDSA-N 2 2 390.572 4.398 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1nc2ccccc2n1C ZINC000179997863 822592917 /nfs/dbraw/zinc/59/29/17/822592917.db2.gz YXFWKZKPHGNNCS-QRVBRYPASA-N 2 2 392.547 4.033 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)cn1 ZINC000180033745 822601609 /nfs/dbraw/zinc/60/16/09/822601609.db2.gz CMQCUSCPHNZCJF-SFHVURJKSA-N 2 2 383.293 4.115 20 0 GIADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)c1cccc(OC)c1 ZINC000455490730 822664786 /nfs/dbraw/zinc/66/47/86/822664786.db2.gz XKJJVRITWJHDAL-FQEVSTJZSA-N 2 2 384.524 4.220 20 0 GIADLP CC[N@@H+](Cc1cn(C)nc1-c1cccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180367911 822671042 /nfs/dbraw/zinc/67/10/42/822671042.db2.gz UDXKMIWYHLKTDS-UHFFFAOYSA-N 2 2 395.576 4.282 20 0 GIADLP CC[N@H+](Cc1cn(C)nc1-c1cccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180367911 822671043 /nfs/dbraw/zinc/67/10/43/822671043.db2.gz UDXKMIWYHLKTDS-UHFFFAOYSA-N 2 2 395.576 4.282 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180408683 822676616 /nfs/dbraw/zinc/67/66/16/822676616.db2.gz KXFVHLJWHCMUJU-IBGZPJMESA-N 2 2 388.515 4.349 20 0 GIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000174295094 822765598 /nfs/dbraw/zinc/76/55/98/822765598.db2.gz FDCRAFCLWURDGT-GFCCVEGCSA-N 2 2 391.865 4.148 20 0 GIADLP CCc1nn(C)c(Cl)c1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174452397 822791735 /nfs/dbraw/zinc/79/17/35/822791735.db2.gz NJGJYNBVUNIKHO-UHFFFAOYSA-N 2 2 386.927 4.151 20 0 GIADLP CCc1nn(C)c(Cl)c1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174452397 822791738 /nfs/dbraw/zinc/79/17/38/822791738.db2.gz NJGJYNBVUNIKHO-UHFFFAOYSA-N 2 2 386.927 4.151 20 0 GIADLP C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185699599 822811345 /nfs/dbraw/zinc/81/13/45/822811345.db2.gz NIWIGURLXJYGET-MOPGFXCFSA-N 2 2 378.564 4.104 20 0 GIADLP C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185699599 822811347 /nfs/dbraw/zinc/81/13/47/822811347.db2.gz NIWIGURLXJYGET-MOPGFXCFSA-N 2 2 378.564 4.104 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000569054333 822874428 /nfs/dbraw/zinc/87/44/28/822874428.db2.gz HPBHXVRFGGVWRV-BVYCBKJFSA-N 2 2 388.515 4.252 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000569054333 822874430 /nfs/dbraw/zinc/87/44/30/822874430.db2.gz HPBHXVRFGGVWRV-BVYCBKJFSA-N 2 2 388.515 4.252 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569054333 822874435 /nfs/dbraw/zinc/87/44/35/822874435.db2.gz HPBHXVRFGGVWRV-BVYCBKJFSA-N 2 2 388.515 4.252 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569054333 822874436 /nfs/dbraw/zinc/87/44/36/822874436.db2.gz HPBHXVRFGGVWRV-BVYCBKJFSA-N 2 2 388.515 4.252 20 0 GIADLP C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000186340735 822878329 /nfs/dbraw/zinc/87/83/29/822878329.db2.gz LAECKSOSXPBIAL-UHFFFAOYSA-N 2 2 380.532 4.428 20 0 GIADLP C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000186340735 822878331 /nfs/dbraw/zinc/87/83/31/822878331.db2.gz LAECKSOSXPBIAL-UHFFFAOYSA-N 2 2 380.532 4.428 20 0 GIADLP CCn1ccnc1C[N@H+](Cc1cc2cc(C)c(C)cc2o1)[C@H]1CC12CC[NH2+]CC2 ZINC000569485128 822928562 /nfs/dbraw/zinc/92/85/62/822928562.db2.gz HHPXJICLICSHKQ-QFIPXVFZSA-N 2 2 392.547 4.410 20 0 GIADLP CCn1ccnc1C[N@@H+](Cc1cc2cc(C)c(C)cc2o1)[C@H]1CC12CC[NH2+]CC2 ZINC000569485128 822928564 /nfs/dbraw/zinc/92/85/64/822928564.db2.gz HHPXJICLICSHKQ-QFIPXVFZSA-N 2 2 392.547 4.410 20 0 GIADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000570331463 823026425 /nfs/dbraw/zinc/02/64/25/823026425.db2.gz NVULCRBCMGISTA-SFHVURJKSA-N 2 2 395.551 4.082 20 0 GIADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000570331463 823026429 /nfs/dbraw/zinc/02/64/29/823026429.db2.gz NVULCRBCMGISTA-SFHVURJKSA-N 2 2 395.551 4.082 20 0 GIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000061070329 823576704 /nfs/dbraw/zinc/57/67/04/823576704.db2.gz HDHDPEZKNZOTND-UHFFFAOYSA-N 2 2 392.374 4.421 20 0 GIADLP C[C@@H](c1nnc(SCC[C@@H]2CCC[N@@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000124294007 823584797 /nfs/dbraw/zinc/58/47/97/823584797.db2.gz ICQKYULUWMVAOJ-HOCLYGCPSA-N 2 2 393.988 4.120 20 0 GIADLP C[C@@H](c1nnc(SCC[C@@H]2CCC[N@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000124294007 823584798 /nfs/dbraw/zinc/58/47/98/823584798.db2.gz ICQKYULUWMVAOJ-HOCLYGCPSA-N 2 2 393.988 4.120 20 0 GIADLP Cc1c2ccccc2oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124547910 823605550 /nfs/dbraw/zinc/60/55/50/823605550.db2.gz LRAQYEMCNQWQRQ-LEWJYISDSA-N 2 2 397.563 4.150 20 0 GIADLP Cc1c2ccccc2oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124547910 823605555 /nfs/dbraw/zinc/60/55/55/823605555.db2.gz LRAQYEMCNQWQRQ-LEWJYISDSA-N 2 2 397.563 4.150 20 0 GIADLP CCc1sc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124570034 823607263 /nfs/dbraw/zinc/60/72/63/823607263.db2.gz UHWANMZNXIIOQO-MOPGFXCFSA-N 2 2 391.625 4.028 20 0 GIADLP CCc1sc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124570034 823607265 /nfs/dbraw/zinc/60/72/65/823607265.db2.gz UHWANMZNXIIOQO-MOPGFXCFSA-N 2 2 391.625 4.028 20 0 GIADLP CCc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124620432 823611812 /nfs/dbraw/zinc/61/18/12/823611812.db2.gz FDRSJGDAOKUISJ-UXHICEINSA-N 2 2 391.625 4.028 20 0 GIADLP CCc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124620432 823611813 /nfs/dbraw/zinc/61/18/13/823611813.db2.gz FDRSJGDAOKUISJ-UXHICEINSA-N 2 2 391.625 4.028 20 0 GIADLP CCc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124619980 823611826 /nfs/dbraw/zinc/61/18/26/823611826.db2.gz FDRSJGDAOKUISJ-PMACEKPBSA-N 2 2 391.625 4.028 20 0 GIADLP CCc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124619980 823611827 /nfs/dbraw/zinc/61/18/27/823611827.db2.gz FDRSJGDAOKUISJ-PMACEKPBSA-N 2 2 391.625 4.028 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000191492017 823690749 /nfs/dbraw/zinc/69/07/49/823690749.db2.gz AXHBPTJCXBRAQY-UHFFFAOYSA-N 2 2 380.323 4.312 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000191492017 823690750 /nfs/dbraw/zinc/69/07/50/823690750.db2.gz AXHBPTJCXBRAQY-UHFFFAOYSA-N 2 2 380.323 4.312 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000191494975 823691220 /nfs/dbraw/zinc/69/12/20/823691220.db2.gz IQNFKCBWYIZPAN-UHFFFAOYSA-N 2 2 384.549 4.490 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000191494975 823691222 /nfs/dbraw/zinc/69/12/22/823691222.db2.gz IQNFKCBWYIZPAN-UHFFFAOYSA-N 2 2 384.549 4.490 20 0 GIADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccn3)C[C@H]1C)CCS2 ZINC000191515608 823694224 /nfs/dbraw/zinc/69/42/24/823694224.db2.gz QJFNNYDWJCWIAN-TYCQWZJGSA-N 2 2 383.561 4.127 20 0 GIADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccn3)C[C@H]1C)CCS2 ZINC000191515608 823694225 /nfs/dbraw/zinc/69/42/25/823694225.db2.gz QJFNNYDWJCWIAN-TYCQWZJGSA-N 2 2 383.561 4.127 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000191522201 823694931 /nfs/dbraw/zinc/69/49/31/823694931.db2.gz XOPIKYKAIJWKNL-UHFFFAOYSA-N 2 2 376.932 4.066 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000191522201 823694932 /nfs/dbraw/zinc/69/49/32/823694932.db2.gz XOPIKYKAIJWKNL-UHFFFAOYSA-N 2 2 376.932 4.066 20 0 GIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163911810 823759923 /nfs/dbraw/zinc/75/99/23/823759923.db2.gz NFOJQYLXAIKHPH-OAHLLOKOSA-N 2 2 376.342 4.161 20 0 GIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163911810 823759931 /nfs/dbraw/zinc/75/99/31/823759931.db2.gz NFOJQYLXAIKHPH-OAHLLOKOSA-N 2 2 376.342 4.161 20 0 GIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163911810 823759938 /nfs/dbraw/zinc/75/99/38/823759938.db2.gz NFOJQYLXAIKHPH-OAHLLOKOSA-N 2 2 376.342 4.161 20 0 GIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163911810 823759943 /nfs/dbraw/zinc/75/99/43/823759943.db2.gz NFOJQYLXAIKHPH-OAHLLOKOSA-N 2 2 376.342 4.161 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)cn1 ZINC000126322821 823839914 /nfs/dbraw/zinc/83/99/14/823839914.db2.gz ULDFJGGDKKSXGL-CYBMUJFWSA-N 2 2 376.382 4.325 20 0 GIADLP Cc1cccc2[nH]cc(CC[NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)c21 ZINC000165252471 823841367 /nfs/dbraw/zinc/84/13/67/823841367.db2.gz ZMVRYJBHMCQWMU-UHFFFAOYSA-N 2 2 376.548 4.343 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cn1 ZINC000126356344 823847792 /nfs/dbraw/zinc/84/77/92/823847792.db2.gz UPCSDQDYGPMBCV-OAHLLOKOSA-N 2 2 390.466 4.060 20 0 GIADLP CSc1nnc(CCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1CC(C)C ZINC000165695861 823859395 /nfs/dbraw/zinc/85/93/95/823859395.db2.gz UGBGXPOYPRMNTH-QGZVFWFLSA-N 2 2 398.580 4.125 20 0 GIADLP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1OCC ZINC000126494669 823883676 /nfs/dbraw/zinc/88/36/76/823883676.db2.gz HVSPHRPZPLZSFV-INIZCTEOSA-N 2 2 380.492 4.224 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)cn1 ZINC000126498688 823884706 /nfs/dbraw/zinc/88/47/06/823884706.db2.gz YAKQRKGWWVREKP-CYBMUJFWSA-N 2 2 376.382 4.325 20 0 GIADLP COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000167246117 823889402 /nfs/dbraw/zinc/88/94/02/823889402.db2.gz RNRUDVNSRFJAJQ-LJQANCHMSA-N 2 2 379.504 4.447 20 0 GIADLP C[NH+](C)CCN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CCCC1 ZINC000575038199 823897107 /nfs/dbraw/zinc/89/71/07/823897107.db2.gz OJKXGXAYCVWTSQ-UHFFFAOYSA-N 2 2 395.551 4.225 20 0 GIADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000126689549 823927747 /nfs/dbraw/zinc/92/77/47/823927747.db2.gz BVJLCFCTWOVFJA-GJZGRUSLSA-N 2 2 377.454 4.268 20 0 GIADLP CCc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355560 823963656 /nfs/dbraw/zinc/96/36/56/823963656.db2.gz AHVVQBZATAWQON-XLIONFOSSA-N 2 2 392.469 4.231 20 0 GIADLP CCc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355560 823963660 /nfs/dbraw/zinc/96/36/60/823963660.db2.gz AHVVQBZATAWQON-XLIONFOSSA-N 2 2 392.469 4.231 20 0 GIADLP COc1cccc2c1CC[C@@H]([NH2+]CC1([NH2+][C@@H](C)c3ccccc3)CCOCC1)C2 ZINC000192443152 823995186 /nfs/dbraw/zinc/99/51/86/823995186.db2.gz DYODYQOABSQLIB-SIKLNZKXSA-N 2 2 394.559 4.042 20 0 GIADLP COc1cccc2c1CC[C@H]([NH2+]c1ccc(N3CCC([NH+](C)C)CC3)cc1)C2 ZINC000192446979 823995862 /nfs/dbraw/zinc/99/58/62/823995862.db2.gz VLMRQAQAIYMDCH-FQEVSTJZSA-N 2 2 379.548 4.195 20 0 GIADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)[nH+]c(C4CC4)n2)CC3)cs1 ZINC001164691747 719814365 /nfs/dbraw/zinc/81/43/65/719814365.db2.gz KLWQFRLITONCRW-UHFFFAOYSA-N 2 2 383.565 4.062 20 0 GIADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)[nH+]c(C4CC4)n2)CC3)cs1 ZINC001164691747 719814366 /nfs/dbraw/zinc/81/43/66/719814366.db2.gz KLWQFRLITONCRW-UHFFFAOYSA-N 2 2 383.565 4.062 20 0 GIADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC001164844263 720665597 /nfs/dbraw/zinc/66/55/97/720665597.db2.gz ZQXLCILUAYIJOX-QFIPXVFZSA-N 2 2 387.527 4.495 20 0 GIADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC001164844263 720665603 /nfs/dbraw/zinc/66/56/03/720665603.db2.gz ZQXLCILUAYIJOX-QFIPXVFZSA-N 2 2 387.527 4.495 20 0 GIADLP CC(C)c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]c1 ZINC001164840464 720694581 /nfs/dbraw/zinc/69/45/81/720694581.db2.gz FAWUYOKTHHJVAJ-JOCHJYFZSA-N 2 2 379.548 4.465 20 0 GIADLP CC(C)c1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]c1 ZINC001164840464 720694592 /nfs/dbraw/zinc/69/45/92/720694592.db2.gz FAWUYOKTHHJVAJ-JOCHJYFZSA-N 2 2 379.548 4.465 20 0 GIADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001164839570 720726914 /nfs/dbraw/zinc/72/69/14/720726914.db2.gz MAKRYSGRRVANMH-OAQYLSRUSA-N 2 2 377.532 4.219 20 0 GIADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001164839570 720726919 /nfs/dbraw/zinc/72/69/19/720726919.db2.gz MAKRYSGRRVANMH-OAQYLSRUSA-N 2 2 377.532 4.219 20 0 GIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000056156178 823091241 /nfs/dbraw/zinc/09/12/41/823091241.db2.gz ZSFAHWKXXPIWFJ-DVECYGJZSA-N 2 2 391.559 4.028 20 0 GIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000056156178 823091247 /nfs/dbraw/zinc/09/12/47/823091247.db2.gz ZSFAHWKXXPIWFJ-DVECYGJZSA-N 2 2 391.559 4.028 20 0 GIADLP C[N@H+](Cc1ccc(-c2ccccc2)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121216309 823140621 /nfs/dbraw/zinc/14/06/21/823140621.db2.gz WXORVDXUSNFXCZ-UHFFFAOYSA-N 2 2 380.561 4.208 20 0 GIADLP C[N@@H+](Cc1ccc(-c2ccccc2)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121216309 823140623 /nfs/dbraw/zinc/14/06/23/823140623.db2.gz WXORVDXUSNFXCZ-UHFFFAOYSA-N 2 2 380.561 4.208 20 0 GIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CCc3ccc(Cl)cc3)CC2)cc1 ZINC000459573901 823223548 /nfs/dbraw/zinc/22/35/48/823223548.db2.gz IXHKEUJAVKIIQN-UHFFFAOYSA-N 2 2 385.939 4.095 20 0 GIADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000571947345 823258637 /nfs/dbraw/zinc/25/86/37/823258637.db2.gz LELZIOQVGMXCGJ-JOCHJYFZSA-N 2 2 390.531 4.088 20 0 GIADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000571947345 823258642 /nfs/dbraw/zinc/25/86/42/823258642.db2.gz LELZIOQVGMXCGJ-JOCHJYFZSA-N 2 2 390.531 4.088 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000188557311 823261910 /nfs/dbraw/zinc/26/19/10/823261910.db2.gz MYXMURUZZQFCSC-VGSWGCGISA-N 2 2 396.966 4.269 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000188557311 823261913 /nfs/dbraw/zinc/26/19/13/823261913.db2.gz MYXMURUZZQFCSC-VGSWGCGISA-N 2 2 396.966 4.269 20 0 GIADLP Cc1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000572090101 823281855 /nfs/dbraw/zinc/28/18/55/823281855.db2.gz SQEDUFGAFVHBGD-YWZLYKJASA-N 2 2 388.353 4.153 20 0 GIADLP Cc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000572090101 823281859 /nfs/dbraw/zinc/28/18/59/823281859.db2.gz SQEDUFGAFVHBGD-YWZLYKJASA-N 2 2 388.353 4.153 20 0 GIADLP C[N@@H+]1CCCC[C@@H]1CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000057530300 823307079 /nfs/dbraw/zinc/30/70/79/823307079.db2.gz GIAFGQNZDBFPLC-LJQANCHMSA-N 2 2 399.608 4.220 20 0 GIADLP C[N@H+]1CCCC[C@@H]1CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000057530300 823307085 /nfs/dbraw/zinc/30/70/85/823307085.db2.gz GIAFGQNZDBFPLC-LJQANCHMSA-N 2 2 399.608 4.220 20 0 GIADLP COCCOc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000122332168 823339355 /nfs/dbraw/zinc/33/93/55/823339355.db2.gz XLIUKXFHNHWMCI-LJQANCHMSA-N 2 2 397.563 4.097 20 0 GIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1 ZINC000057843699 823340625 /nfs/dbraw/zinc/34/06/25/823340625.db2.gz KRHYLJNKOZKJAQ-UHFFFAOYSA-N 2 2 385.939 4.123 20 0 GIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1 ZINC000057843699 823340632 /nfs/dbraw/zinc/34/06/32/823340632.db2.gz KRHYLJNKOZKJAQ-UHFFFAOYSA-N 2 2 385.939 4.123 20 0 GIADLP C[C@@H](c1cccc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)c1)[NH+]1CCOCC1 ZINC000572479754 823347312 /nfs/dbraw/zinc/34/73/12/823347312.db2.gz IDRPIBKFSVHGDM-RXVVDRJESA-N 2 2 387.568 4.096 20 0 GIADLP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@H](c2ncc[nH]2)c2ccncc2)cc1 ZINC000189059343 823350382 /nfs/dbraw/zinc/35/03/82/823350382.db2.gz OWSNCGUSJASKAV-DEOSSOPVSA-N 2 2 397.526 4.413 20 0 GIADLP Fc1cccc(-c2cnc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)o2)c1 ZINC000572530175 823355101 /nfs/dbraw/zinc/35/51/01/823355101.db2.gz MBCHVLSVJXXOIO-RTWAWAEBSA-N 2 2 391.490 4.435 20 0 GIADLP Fc1cccc(-c2cnc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)o2)c1 ZINC000572530175 823355111 /nfs/dbraw/zinc/35/51/11/823355111.db2.gz MBCHVLSVJXXOIO-RTWAWAEBSA-N 2 2 391.490 4.435 20 0 GIADLP Fc1cccc(-c2cnc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)o2)c1 ZINC000572530175 823355119 /nfs/dbraw/zinc/35/51/19/823355119.db2.gz MBCHVLSVJXXOIO-RTWAWAEBSA-N 2 2 391.490 4.435 20 0 GIADLP Fc1cccc(-c2cnc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)o2)c1 ZINC000572530175 823355124 /nfs/dbraw/zinc/35/51/24/823355124.db2.gz MBCHVLSVJXXOIO-RTWAWAEBSA-N 2 2 391.490 4.435 20 0 GIADLP Fc1ccc([C@H](C[C@@H]2CCCO2)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000572532681 823355734 /nfs/dbraw/zinc/35/57/34/823355734.db2.gz ZXVZOEPKIAUCEZ-GOTSBHOMSA-N 2 2 379.479 4.471 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cncc(Br)c1 ZINC000572617810 823369935 /nfs/dbraw/zinc/36/99/35/823369935.db2.gz IRYNDTWAOZVRFT-GJZGRUSLSA-N 2 2 389.341 4.115 20 0 GIADLP CCC[C@H](CC1CCCC1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460492830 823406959 /nfs/dbraw/zinc/40/69/59/823406959.db2.gz QIEDSSXMVKCXIQ-OAQYLSRUSA-N 2 2 377.617 4.050 20 0 GIADLP C[N@H+](Cc1ccccc1C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177260951 823412735 /nfs/dbraw/zinc/41/27/35/823412735.db2.gz IIDXGWOJJWGBDF-UHFFFAOYSA-N 2 2 377.454 4.239 20 0 GIADLP C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177260951 823412739 /nfs/dbraw/zinc/41/27/39/823412739.db2.gz IIDXGWOJJWGBDF-UHFFFAOYSA-N 2 2 377.454 4.239 20 0 GIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000177305397 823427629 /nfs/dbraw/zinc/42/76/29/823427629.db2.gz YWIIIFSIYGVEMR-RTWAWAEBSA-N 2 2 377.532 4.241 20 0 GIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000177305397 823427634 /nfs/dbraw/zinc/42/76/34/823427634.db2.gz YWIIIFSIYGVEMR-RTWAWAEBSA-N 2 2 377.532 4.241 20 0 GIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000177305397 823427639 /nfs/dbraw/zinc/42/76/39/823427639.db2.gz YWIIIFSIYGVEMR-RTWAWAEBSA-N 2 2 377.532 4.241 20 0 GIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000177305397 823427640 /nfs/dbraw/zinc/42/76/40/823427640.db2.gz YWIIIFSIYGVEMR-RTWAWAEBSA-N 2 2 377.532 4.241 20 0 GIADLP Cc1ccc(Cn2cc(C[NH2+]CCn3cc[nH+]c3)c(-c3ccc(C)cc3)n2)cc1 ZINC000026309323 820080897 /nfs/dbraw/zinc/08/08/97/820080897.db2.gz PXWAFUDDLRCGJO-UHFFFAOYSA-N 2 2 385.515 4.202 20 0 GIADLP C[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900510 823511789 /nfs/dbraw/zinc/51/17/89/823511789.db2.gz LXSABULPEQLSTM-LIRRHRJNSA-N 2 2 375.394 4.275 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000177806169 823528088 /nfs/dbraw/zinc/52/80/88/823528088.db2.gz LRTHUUNWURPLSS-SFHVURJKSA-N 2 2 387.487 4.036 20 0 GIADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000042229132 821288271 /nfs/dbraw/zinc/28/82/71/821288271.db2.gz HUNLJWIYABIBGY-INIZCTEOSA-N 2 2 393.362 4.121 20 0 GIADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000042229132 821288278 /nfs/dbraw/zinc/28/82/78/821288278.db2.gz HUNLJWIYABIBGY-INIZCTEOSA-N 2 2 393.362 4.121 20 0 GIADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000042229141 821288965 /nfs/dbraw/zinc/28/89/65/821288965.db2.gz SVFKRPAXDZDYHY-CQSZACIVSA-N 2 2 379.335 4.061 20 0 GIADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000042229141 821288974 /nfs/dbraw/zinc/28/89/74/821288974.db2.gz SVFKRPAXDZDYHY-CQSZACIVSA-N 2 2 379.335 4.061 20 0 GIADLP C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000180647043 821380860 /nfs/dbraw/zinc/38/08/60/821380860.db2.gz YWKABUMWENGBOG-CYBMUJFWSA-N 2 2 389.286 4.468 20 0 GIADLP C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180690259 821396383 /nfs/dbraw/zinc/39/63/83/821396383.db2.gz YRKILQSZXVQXJH-IFXJQAMLSA-N 2 2 375.394 4.275 20 0 GIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc(Cl)n2)cc1 ZINC000181232772 821709676 /nfs/dbraw/zinc/70/96/76/821709676.db2.gz GEGZSBFEVWEXBD-UHFFFAOYSA-N 2 2 384.911 4.423 20 0 GIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc(Cl)n2)cc1 ZINC000181232772 821709679 /nfs/dbraw/zinc/70/96/79/821709679.db2.gz GEGZSBFEVWEXBD-UHFFFAOYSA-N 2 2 384.911 4.423 20 0 GIADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)CCCO2 ZINC000181593146 821894356 /nfs/dbraw/zinc/89/43/56/821894356.db2.gz ZNFQNWGTTTYQGT-VGSWGCGISA-N 2 2 381.520 4.119 20 0 GIADLP CCCc1nc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cs1 ZINC000181626614 821910840 /nfs/dbraw/zinc/91/08/40/821910840.db2.gz ZPLBALUDSLXBJZ-INIZCTEOSA-N 2 2 390.572 4.227 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)cc1 ZINC000181764668 821982499 /nfs/dbraw/zinc/98/24/99/821982499.db2.gz IJKXJSWUMFOYHS-OAHLLOKOSA-N 2 2 393.441 4.495 20 0 GIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(Br)ccc1F ZINC000178059040 822304564 /nfs/dbraw/zinc/30/45/64/822304564.db2.gz XIRKMLOQPTVONB-CYBMUJFWSA-N 2 2 378.289 4.303 20 0 GIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(Br)ccc1F ZINC000178059025 822304638 /nfs/dbraw/zinc/30/46/38/822304638.db2.gz XIRKMLOQPTVONB-ZDUSSCGKSA-N 2 2 378.289 4.303 20 0 GIADLP COc1ccc([C@H](C)[NH2+]Cc2nccn2CC(C)C)cc1C[NH+]1CCCCC1 ZINC000183021088 822412681 /nfs/dbraw/zinc/41/26/81/822412681.db2.gz HWEAEGHFEVGPKB-IBGZPJMESA-N 2 2 384.568 4.384 20 0 GIADLP CC[C@@H](C)[N@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179401784 822477517 /nfs/dbraw/zinc/47/75/17/822477517.db2.gz BZGFDTMGOZAKST-CVEARBPZSA-N 2 2 385.474 4.229 20 0 GIADLP CC[C@@H](C)[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179401784 822477521 /nfs/dbraw/zinc/47/75/21/822477521.db2.gz BZGFDTMGOZAKST-CVEARBPZSA-N 2 2 385.474 4.229 20 0 GIADLP CC[C@@H](C)[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179401784 822477524 /nfs/dbraw/zinc/47/75/24/822477524.db2.gz BZGFDTMGOZAKST-CVEARBPZSA-N 2 2 385.474 4.229 20 0 GIADLP CC[C@@H](C)[NH+](CC[C@@H]1CCC[N@H+]1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179401784 822477526 /nfs/dbraw/zinc/47/75/26/822477526.db2.gz BZGFDTMGOZAKST-CVEARBPZSA-N 2 2 385.474 4.229 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 ZINC000183680726 822510463 /nfs/dbraw/zinc/51/04/63/822510463.db2.gz XDJZFSBZHXVNBV-OAHLLOKOSA-N 2 2 389.455 4.152 20 0 GIADLP COc1ccc([C@H](Cc2ccccc2C)[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000179668706 822523582 /nfs/dbraw/zinc/52/35/82/822523582.db2.gz XMEDDWDUVSMOCC-NRFANRHFSA-N 2 2 379.504 4.172 20 0 GIADLP CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000179675077 822524757 /nfs/dbraw/zinc/52/47/57/822524757.db2.gz DRAKPHOOTIPBRS-OAQYLSRUSA-N 2 2 394.519 4.282 20 0 GIADLP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000183958104 822553814 /nfs/dbraw/zinc/55/38/14/822553814.db2.gz DJOPEGZLQJMQNQ-KNQAVFIVSA-N 2 2 379.548 4.012 20 0 GIADLP COc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000183958104 822553815 /nfs/dbraw/zinc/55/38/15/822553815.db2.gz DJOPEGZLQJMQNQ-KNQAVFIVSA-N 2 2 379.548 4.012 20 0 GIADLP Cc1cccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)[nH+]1 ZINC000180141224 822624960 /nfs/dbraw/zinc/62/49/60/822624960.db2.gz SWTJKJANPOMFKS-CWAQXLGLSA-N 3 2 390.575 4.144 20 0 GIADLP Cc1cccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)[nH+]1 ZINC000180141224 822624962 /nfs/dbraw/zinc/62/49/62/822624962.db2.gz SWTJKJANPOMFKS-CWAQXLGLSA-N 3 2 390.575 4.144 20 0 GIADLP Cc1cc(C)c(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c(C)[nH+]1 ZINC000455493492 822665356 /nfs/dbraw/zinc/66/53/56/822665356.db2.gz MEIVAPAEWQOLGK-KRWDZBQOSA-N 2 2 394.441 4.450 20 0 GIADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C)[nH+]1 ZINC000455530994 822671266 /nfs/dbraw/zinc/67/12/66/822671266.db2.gz RZFWZGAKHFASFF-HXUWFJFHSA-N 2 2 380.536 4.429 20 0 GIADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)[nH+]1 ZINC000455530994 822671268 /nfs/dbraw/zinc/67/12/68/822671268.db2.gz RZFWZGAKHFASFF-HXUWFJFHSA-N 2 2 380.536 4.429 20 0 GIADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000185225378 822751580 /nfs/dbraw/zinc/75/15/80/822751580.db2.gz ZFZBTLWPAZTZKE-UHFFFAOYSA-N 2 2 388.231 4.219 20 0 GIADLP Cc1cccc(C(C)C)c1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000174418853 822787475 /nfs/dbraw/zinc/78/74/75/822787475.db2.gz DIDHRCWWHAYUDN-UHFFFAOYSA-N 2 2 386.584 4.190 20 0 GIADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)cn2c1 ZINC000456253557 822790376 /nfs/dbraw/zinc/79/03/76/822790376.db2.gz BIETVGUPUVCNQH-HXUWFJFHSA-N 2 2 394.544 4.064 20 0 GIADLP CC[N@@H+](Cc1cncc(Br)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174486387 822795871 /nfs/dbraw/zinc/79/58/71/822795871.db2.gz NKQUDFCLRCPQNK-GOSISDBHSA-N 2 2 388.353 4.188 20 0 GIADLP CC[N@H+](Cc1cncc(Br)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174486387 822795873 /nfs/dbraw/zinc/79/58/73/822795873.db2.gz NKQUDFCLRCPQNK-GOSISDBHSA-N 2 2 388.353 4.188 20 0 GIADLP CC[NH+](Cc1cncc(Br)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174486387 822795877 /nfs/dbraw/zinc/79/58/77/822795877.db2.gz NKQUDFCLRCPQNK-GOSISDBHSA-N 2 2 388.353 4.188 20 0 GIADLP CC[NH+](Cc1cncc(Br)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174486387 822795878 /nfs/dbraw/zinc/79/58/78/822795878.db2.gz NKQUDFCLRCPQNK-GOSISDBHSA-N 2 2 388.353 4.188 20 0 GIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(Br)cc(F)c1O ZINC000185649150 822806504 /nfs/dbraw/zinc/80/65/04/822806504.db2.gz QGEVYRRHADHDEG-GFCCVEGCSA-N 2 2 385.321 4.351 20 0 GIADLP C[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185750216 822817412 /nfs/dbraw/zinc/81/74/12/822817412.db2.gz PPMYLQFPSJIPRQ-GDBMZVCRSA-N 2 2 375.463 4.362 20 0 GIADLP C[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750216 822817416 /nfs/dbraw/zinc/81/74/16/822817416.db2.gz PPMYLQFPSJIPRQ-GDBMZVCRSA-N 2 2 375.463 4.362 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ncc(Br)cc1F ZINC000186965976 822988838 /nfs/dbraw/zinc/98/88/38/822988838.db2.gz HWWZFORTWYILPJ-AWEZNQCLSA-N 2 2 392.316 4.430 20 0 GIADLP Cc1ccccc1-n1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)nn1 ZINC000570003122 822995334 /nfs/dbraw/zinc/99/53/34/822995334.db2.gz MUROJDLNEPJVFF-IBGZPJMESA-N 2 2 389.547 4.097 20 0 GIADLP Cc1ccccc1-n1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)nn1 ZINC000570003122 822995336 /nfs/dbraw/zinc/99/53/36/822995336.db2.gz MUROJDLNEPJVFF-IBGZPJMESA-N 2 2 389.547 4.097 20 0 GIADLP CC[N@H+](C[C@H](O)c1ccc(F)cc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000187101559 823010582 /nfs/dbraw/zinc/01/05/82/823010582.db2.gz MTOZSSVNXGBLSW-FQEVSTJZSA-N 2 2 391.918 4.146 20 0 GIADLP CC[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000187101559 823010585 /nfs/dbraw/zinc/01/05/85/823010585.db2.gz MTOZSSVNXGBLSW-FQEVSTJZSA-N 2 2 391.918 4.146 20 0 GIADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000061012143 823572729 /nfs/dbraw/zinc/57/27/29/823572729.db2.gz ZREXTADKUYBCHR-UHFFFAOYSA-N 2 2 383.367 4.224 20 0 GIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2ncco2)cc1F ZINC000411552178 823587536 /nfs/dbraw/zinc/58/75/36/823587536.db2.gz OMMRLSAAAWOUKM-JTSKRJEESA-N 2 2 379.479 4.481 20 0 GIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2ncco2)cc1F ZINC000411552178 823587539 /nfs/dbraw/zinc/58/75/39/823587539.db2.gz OMMRLSAAAWOUKM-JTSKRJEESA-N 2 2 379.479 4.481 20 0 GIADLP C[C@@H](c1nnc(SCC[C@H]2CCC[N@@H+]2C)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000125075588 823650157 /nfs/dbraw/zinc/65/01/57/823650157.db2.gz PTPJTGPANKSAEL-RBUKOAKNSA-N 2 2 399.608 4.391 20 0 GIADLP C[C@@H](c1nnc(SCC[C@H]2CCC[N@H+]2C)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000125075588 823650158 /nfs/dbraw/zinc/65/01/58/823650158.db2.gz PTPJTGPANKSAEL-RBUKOAKNSA-N 2 2 399.608 4.391 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000191485813 823690114 /nfs/dbraw/zinc/69/01/14/823690114.db2.gz HVLMEJCHZKTQBA-UHFFFAOYSA-N 2 2 398.532 4.210 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000191485813 823690117 /nfs/dbraw/zinc/69/01/17/823690117.db2.gz HVLMEJCHZKTQBA-UHFFFAOYSA-N 2 2 398.532 4.210 20 0 GIADLP Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(-n2cc(Cl)cn2)n1 ZINC000191529858 823695937 /nfs/dbraw/zinc/69/59/37/823695937.db2.gz GDZIFOFABMMGEW-INIZCTEOSA-N 2 2 392.894 4.266 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1Br ZINC000163701097 823739252 /nfs/dbraw/zinc/73/92/52/823739252.db2.gz LKFCFMSISQAMGR-MRXNPFEDSA-N 2 2 389.337 4.132 20 0 GIADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163699720 823739340 /nfs/dbraw/zinc/73/93/40/823739340.db2.gz FWRSMHKBCRAUAO-NRFANRHFSA-N 2 2 386.923 4.176 20 0 GIADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OC(F)F)cc1 ZINC000163746464 823744890 /nfs/dbraw/zinc/74/48/90/823744890.db2.gz XHJKTFUROQVNBS-NRFANRHFSA-N 2 2 390.474 4.361 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1nc(-c2ccccc2)cs1 ZINC000163751164 823744973 /nfs/dbraw/zinc/74/49/73/823744973.db2.gz LOYVYRPYCCBTGZ-GOSISDBHSA-N 2 2 393.556 4.493 20 0 GIADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3ncc[nH]3)C3CCCCC3)c2)CCO1 ZINC000574591414 823774039 /nfs/dbraw/zinc/77/40/39/823774039.db2.gz TXSBZTWRALDCER-PGRDOPGGSA-N 2 2 382.552 4.042 20 0 GIADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ncc[nH]3)C3CCCCC3)c2)CCO1 ZINC000574591414 823774041 /nfs/dbraw/zinc/77/40/41/823774041.db2.gz TXSBZTWRALDCER-PGRDOPGGSA-N 2 2 382.552 4.042 20 0 GIADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831517 823789364 /nfs/dbraw/zinc/78/93/64/823789364.db2.gz AIPSZPHHYKPHHR-YLJYHZDGSA-N 2 2 381.545 4.238 20 0 GIADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831517 823789371 /nfs/dbraw/zinc/78/93/71/823789371.db2.gz AIPSZPHHYKPHHR-YLJYHZDGSA-N 2 2 381.545 4.238 20 0 GIADLP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113586 823832228 /nfs/dbraw/zinc/83/22/28/823832228.db2.gz TXZJOQITIGZSBF-PXNSSMCTSA-N 3 2 383.502 4.162 20 0 GIADLP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113586 823832238 /nfs/dbraw/zinc/83/22/38/823832238.db2.gz TXZJOQITIGZSBF-PXNSSMCTSA-N 3 2 383.502 4.162 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3cc(Br)ccc32)cn1 ZINC000126321192 823839164 /nfs/dbraw/zinc/83/91/64/823839164.db2.gz ODBPGXJZLOTKRY-SFHVURJKSA-N 2 2 383.293 4.115 20 0 GIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c[nH+]1 ZINC000166484978 823878598 /nfs/dbraw/zinc/87/85/98/823878598.db2.gz IUSWJLFPNFSNGM-DNQXCXABSA-N 3 2 386.543 4.315 20 0 GIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c[nH+]1 ZINC000166484978 823878603 /nfs/dbraw/zinc/87/86/03/823878603.db2.gz IUSWJLFPNFSNGM-DNQXCXABSA-N 3 2 386.543 4.315 20 0 GIADLP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192178471 823893570 /nfs/dbraw/zinc/89/35/70/823893570.db2.gz IVMCTASIOCCUQY-CQSZACIVSA-N 2 2 391.441 4.407 20 0 GIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126690006 823927864 /nfs/dbraw/zinc/92/78/64/823927864.db2.gz BVJLCFCTWOVFJA-LSDHHAIUSA-N 2 2 377.454 4.268 20 0 GIADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4nnc(C5CC5)s4)[C@H]3C2)cc1 ZINC000414327549 823958973 /nfs/dbraw/zinc/95/89/73/823958973.db2.gz OSSDLRWMXRQLCF-UFYCRDLUSA-N 2 2 382.577 4.196 20 0 GIADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4nnc(C5CC5)s4)[C@H]3C2)cc1 ZINC000414327549 823958980 /nfs/dbraw/zinc/95/89/80/823958980.db2.gz OSSDLRWMXRQLCF-UFYCRDLUSA-N 2 2 382.577 4.196 20 0 GIADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000414357583 823964286 /nfs/dbraw/zinc/96/42/86/823964286.db2.gz DLJAMLSEXTWAIV-GOSISDBHSA-N 2 2 393.510 4.030 20 0 GIADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000414357584 823964435 /nfs/dbraw/zinc/96/44/35/823964435.db2.gz DLJAMLSEXTWAIV-SFHVURJKSA-N 2 2 393.510 4.030 20 0 GIADLP [NH3+]C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C1CC1 ZINC000414807502 824037921 /nfs/dbraw/zinc/03/79/21/824037921.db2.gz RCOPZQITHVLVBX-GOSISDBHSA-N 2 2 378.303 4.073 20 0 GIADLP CC(=O)N(c1nc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cs1)c1ccc(C)cc1 ZINC000414816020 824039056 /nfs/dbraw/zinc/03/90/56/824039056.db2.gz YWWVVBOWIWEVFB-INIZCTEOSA-N 2 2 394.544 4.446 20 0 GIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000414850544 824041663 /nfs/dbraw/zinc/04/16/63/824041663.db2.gz SNKVHPNCFJDJER-JOCHJYFZSA-N 2 2 399.966 4.358 20 0 GIADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C3CCCCC3)[nH+]c(C)n1)C2 ZINC001164818102 720157261 /nfs/dbraw/zinc/15/72/61/720157261.db2.gz RTYLRMUSIIIWRT-ZJSXRUAMSA-N 2 2 398.595 4.017 20 0 GIADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C3CCCCC3)[nH+]c(C)n1)C2 ZINC001164818102 720157267 /nfs/dbraw/zinc/15/72/67/720157267.db2.gz RTYLRMUSIIIWRT-ZJSXRUAMSA-N 2 2 398.595 4.017 20 0 GIADLP Cc1ccc2c(C)cc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)[nH+]c2c1C ZINC001164788124 721428739 /nfs/dbraw/zinc/42/87/39/721428739.db2.gz RXTRLEDCVDULNY-ROUUACIJSA-N 2 2 378.545 4.185 20 0 GIADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccsc3)CC2)cc(OC)c1OC ZINC000121278160 823153417 /nfs/dbraw/zinc/15/34/17/823153417.db2.gz VIOOORFQYYQRAT-OAHLLOKOSA-N 2 2 390.549 4.089 20 0 GIADLP Fc1cccc(-n2cccn2)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571324926 823165505 /nfs/dbraw/zinc/16/55/05/823165505.db2.gz FYKYGJQJIMXLIQ-HXUWFJFHSA-N 2 2 390.506 4.298 20 0 GIADLP Fc1cccc(-n2cccn2)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571324926 823165508 /nfs/dbraw/zinc/16/55/08/823165508.db2.gz FYKYGJQJIMXLIQ-HXUWFJFHSA-N 2 2 390.506 4.298 20 0 GIADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000188114853 823188619 /nfs/dbraw/zinc/18/86/19/823188619.db2.gz NTRBOGGEGUWXIP-QGZVFWFLSA-N 2 2 398.348 4.457 20 0 GIADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000459553998 823219262 /nfs/dbraw/zinc/21/92/62/823219262.db2.gz BVCXCYBRHQSFPA-UHFFFAOYSA-N 2 2 383.565 4.471 20 0 GIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3C[C@H]3c3c(F)cccc3Cl)sc2C1 ZINC000459668348 823246385 /nfs/dbraw/zinc/24/63/85/823246385.db2.gz PMWLXARQEWUIIU-MLGOLLRUSA-N 2 2 379.932 4.348 20 0 GIADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3C[C@H]3c3c(F)cccc3Cl)sc2C1 ZINC000459668348 823246389 /nfs/dbraw/zinc/24/63/89/823246389.db2.gz PMWLXARQEWUIIU-MLGOLLRUSA-N 2 2 379.932 4.348 20 0 GIADLP Brc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000188739286 823295549 /nfs/dbraw/zinc/29/55/49/823295549.db2.gz WAYJMFYFYLQONT-ALOPSCKCSA-N 2 2 375.310 4.327 20 0 GIADLP Brc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000188739286 823295551 /nfs/dbraw/zinc/29/55/51/823295551.db2.gz WAYJMFYFYLQONT-ALOPSCKCSA-N 2 2 375.310 4.327 20 0 GIADLP CCc1nc2c(s1)[C@H]([NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)CCC2 ZINC000122341860 823341008 /nfs/dbraw/zinc/34/10/08/823341008.db2.gz YPJUZDXYRPIFSY-LJQANCHMSA-N 2 2 384.593 4.408 20 0 GIADLP Cc1c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)oc2c1c(C)ccc2C ZINC000460483382 823404137 /nfs/dbraw/zinc/40/41/37/823404137.db2.gz PDFWDAYMCYPCKK-UHFFFAOYSA-N 2 2 397.563 4.038 20 0 GIADLP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000573130634 823451565 /nfs/dbraw/zinc/45/15/65/823451565.db2.gz LEASTLYPIGYIHT-UHFFFAOYSA-N 2 2 382.552 4.411 20 0 GIADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000410308485 823458773 /nfs/dbraw/zinc/45/87/73/823458773.db2.gz WPPXSTJWABVXCE-UHFFFAOYSA-N 2 2 394.563 4.234 20 0 GIADLP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000573205844 823465238 /nfs/dbraw/zinc/46/52/38/823465238.db2.gz DYCUZKCIPVHTJR-SGNDLWITSA-N 2 2 375.560 4.219 20 0 GIADLP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000573205844 823465245 /nfs/dbraw/zinc/46/52/45/823465245.db2.gz DYCUZKCIPVHTJR-SGNDLWITSA-N 2 2 375.560 4.219 20 0 GIADLP CN1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000573205842 823465325 /nfs/dbraw/zinc/46/53/25/823465325.db2.gz DYCUZKCIPVHTJR-HJOGWXRNSA-N 2 2 375.560 4.219 20 0 GIADLP CN1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000573205842 823465326 /nfs/dbraw/zinc/46/53/26/823465326.db2.gz DYCUZKCIPVHTJR-HJOGWXRNSA-N 2 2 375.560 4.219 20 0 GIADLP C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911321 823512854 /nfs/dbraw/zinc/51/28/54/823512854.db2.gz LHWQNSJQXLENRU-LIRRHRJNSA-N 2 2 386.293 4.019 20 0 GIADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000042229146 821289070 /nfs/dbraw/zinc/28/90/70/821289070.db2.gz BQNAWUGYHCVBMV-HNNXBMFYSA-N 2 2 393.362 4.121 20 0 GIADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000042229146 821289077 /nfs/dbraw/zinc/28/90/77/821289077.db2.gz BQNAWUGYHCVBMV-HNNXBMFYSA-N 2 2 393.362 4.121 20 0 GIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccnc(Cl)c2)cc1 ZINC000181233756 821710222 /nfs/dbraw/zinc/71/02/22/821710222.db2.gz BYMJVLFCIPGORK-UHFFFAOYSA-N 2 2 384.911 4.423 20 0 GIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccnc(Cl)c2)cc1 ZINC000181233756 821710225 /nfs/dbraw/zinc/71/02/25/821710225.db2.gz BYMJVLFCIPGORK-UHFFFAOYSA-N 2 2 384.911 4.423 20 0 GIADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc2c(c1)OCCO2 ZINC000181590119 821893324 /nfs/dbraw/zinc/89/33/24/821893324.db2.gz HOVKYBQAHBHSPS-UWJYYQICSA-N 2 2 381.520 4.119 20 0 GIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000181590095 821893607 /nfs/dbraw/zinc/89/36/07/821893607.db2.gz LNRYBTSRDFAMPK-RTBURBONSA-N 2 2 392.547 4.085 20 0 GIADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000181592217 821893735 /nfs/dbraw/zinc/89/37/35/821893735.db2.gz GGXXFHTUBCLJES-GOSISDBHSA-N 2 2 392.547 4.301 20 0 GIADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1cccc2ccccc21 ZINC000181650712 821922924 /nfs/dbraw/zinc/92/29/24/821922924.db2.gz TZIZNAVCSCUTFS-MRXNPFEDSA-N 2 2 394.544 4.181 20 0 GIADLP C[C@@H]([NH2+]CC1(C[NH2+][C@H](C)c2cccc(F)c2F)COC1)c1cccc(F)c1F ZINC000182444749 822245277 /nfs/dbraw/zinc/24/52/77/822245277.db2.gz NGLPEGRRZDMFHO-ZIAGYGMSSA-N 2 2 396.428 4.261 20 0 GIADLP C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177976887 822266902 /nfs/dbraw/zinc/26/69/02/822266902.db2.gz ISOCVWBHPPIDCI-ROUUACIJSA-N 2 2 384.524 4.170 20 0 GIADLP C[N@H+](Cc1ccccc1NC(=O)NCc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC000178159996 822337197 /nfs/dbraw/zinc/33/71/97/822337197.db2.gz BEYQCFBCYJETMA-UHFFFAOYSA-N 2 2 391.519 4.421 20 0 GIADLP C[N@@H+](Cc1ccccc1NC(=O)NCc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC000178159996 822337209 /nfs/dbraw/zinc/33/72/09/822337209.db2.gz BEYQCFBCYJETMA-UHFFFAOYSA-N 2 2 391.519 4.421 20 0 GIADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691907 822352801 /nfs/dbraw/zinc/35/28/01/822352801.db2.gz AMLPGDFNPVAXRX-YWZLYKJASA-N 2 2 380.504 4.216 20 0 GIADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691907 822352810 /nfs/dbraw/zinc/35/28/10/822352810.db2.gz AMLPGDFNPVAXRX-YWZLYKJASA-N 2 2 380.504 4.216 20 0 GIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000178400131 822375396 /nfs/dbraw/zinc/37/53/96/822375396.db2.gz BJDDHAOXZHKTDP-AVRDEDQJSA-N 2 2 392.572 4.248 20 0 GIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000178400131 822375402 /nfs/dbraw/zinc/37/54/02/822375402.db2.gz BJDDHAOXZHKTDP-AVRDEDQJSA-N 2 2 392.572 4.248 20 0 GIADLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc2c(c1)CCO2 ZINC000178534569 822388895 /nfs/dbraw/zinc/38/88/95/822388895.db2.gz QHKGHKARVMHHNI-OALUTQOASA-N 2 2 380.532 4.172 20 0 GIADLP c1cn(CCC[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c[nH+]1 ZINC000182956143 822399548 /nfs/dbraw/zinc/39/95/48/822399548.db2.gz WJNURRPUVCKGMU-UHFFFAOYSA-N 2 2 391.515 4.148 20 0 GIADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000183078037 822421627 /nfs/dbraw/zinc/42/16/27/822421627.db2.gz VCOLROSABUQDHO-ZEQRLZLVSA-N 2 2 394.559 4.220 20 0 GIADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)cs2)cc1 ZINC000179430780 822481741 /nfs/dbraw/zinc/48/17/41/822481741.db2.gz ZENIXYYRJAMBNP-MRXNPFEDSA-N 2 2 382.533 4.007 20 0 GIADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)cs2)cc1 ZINC000179430780 822481744 /nfs/dbraw/zinc/48/17/44/822481744.db2.gz ZENIXYYRJAMBNP-MRXNPFEDSA-N 2 2 382.533 4.007 20 0 GIADLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1OC1CCCC1 ZINC000047717750 822603506 /nfs/dbraw/zinc/60/35/06/822603506.db2.gz BOFJGQMZBFDHSZ-UHFFFAOYSA-N 2 2 377.488 4.492 20 0 GIADLP CCC(CC)c1cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)on1 ZINC000180144638 822625706 /nfs/dbraw/zinc/62/57/06/822625706.db2.gz NHCCNCNITSBKJM-UHFFFAOYSA-N 2 2 390.959 4.273 20 0 GIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCc2nc(-c3ccncc3)cs2)CC1 ZINC000180173189 822632448 /nfs/dbraw/zinc/63/24/48/822632448.db2.gz LMXWIYSUNNDQHZ-UHFFFAOYSA-N 2 2 398.498 4.144 20 0 GIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2ccccc2OC(F)(F)F)CC1 ZINC000180179315 822633579 /nfs/dbraw/zinc/63/35/79/822633579.db2.gz QMVHOUXDJNXDLE-UHFFFAOYSA-N 2 2 384.364 4.134 20 0 GIADLP COc1ccc(C[NH+]2CCC(CNC(=O)Nc3c(C)cc(C)[nH+]c3C)CC2)cc1 ZINC000455478041 822662196 /nfs/dbraw/zinc/66/21/96/822662196.db2.gz MVXMRGCCMJSNHX-UHFFFAOYSA-N 2 2 396.535 4.049 20 0 GIADLP Cn1cc([C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337145 822665791 /nfs/dbraw/zinc/66/57/91/822665791.db2.gz UQUJPOOZYPENKE-VGSWGCGISA-N 2 2 398.551 4.212 20 0 GIADLP Cn1cc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337145 822665794 /nfs/dbraw/zinc/66/57/94/822665794.db2.gz UQUJPOOZYPENKE-VGSWGCGISA-N 2 2 398.551 4.212 20 0 GIADLP COc1ccccc1SC[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000180446590 822683617 /nfs/dbraw/zinc/68/36/17/822683617.db2.gz XDKWOGHPZXTATN-SFHVURJKSA-N 2 2 385.577 4.073 20 0 GIADLP Fc1ccc(OCc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cs2)cc1 ZINC000051907718 822782758 /nfs/dbraw/zinc/78/27/58/822782758.db2.gz DOXJXKNNLDSYSW-UHFFFAOYSA-N 2 2 389.540 4.169 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(Br)cc(F)c1O ZINC000185649128 822806566 /nfs/dbraw/zinc/80/65/66/822806566.db2.gz QGEVYRRHADHDEG-LBPRGKRZSA-N 2 2 385.321 4.351 20 0 GIADLP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651428 822817933 /nfs/dbraw/zinc/81/79/33/822817933.db2.gz JSWJIBAUELLSCM-ZWKOTPCHSA-N 2 2 384.524 4.170 20 0 GIADLP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174657896 822819373 /nfs/dbraw/zinc/81/93/73/822819373.db2.gz QLJHUSNKPXUWST-UHFFFAOYSA-N 2 2 393.453 4.119 20 0 GIADLP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174657896 822819379 /nfs/dbraw/zinc/81/93/79/822819379.db2.gz QLJHUSNKPXUWST-UHFFFAOYSA-N 2 2 393.453 4.119 20 0 GIADLP CCCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000569255101 822897323 /nfs/dbraw/zinc/89/73/23/822897323.db2.gz UNIDYKQUIPMGTB-YOEHRIQHSA-N 2 2 399.373 4.019 20 0 GIADLP CCCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000569255101 822897327 /nfs/dbraw/zinc/89/73/27/822897327.db2.gz UNIDYKQUIPMGTB-YOEHRIQHSA-N 2 2 399.373 4.019 20 0 GIADLP CCCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000569255101 822897329 /nfs/dbraw/zinc/89/73/29/822897329.db2.gz UNIDYKQUIPMGTB-YOEHRIQHSA-N 2 2 399.373 4.019 20 0 GIADLP CCCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000569255101 822897333 /nfs/dbraw/zinc/89/73/33/822897333.db2.gz UNIDYKQUIPMGTB-YOEHRIQHSA-N 2 2 399.373 4.019 20 0 GIADLP CC(C)Cc1ccc([C@@H](CNC2CC[NH+](Cc3ccccn3)CC2)[NH+](C)C)cc1 ZINC000569373235 822912780 /nfs/dbraw/zinc/91/27/80/822912780.db2.gz JXAMOLYPOSEISV-RUZDIDTESA-N 2 2 394.607 4.137 20 0 GIADLP C[C@@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186750134 822949479 /nfs/dbraw/zinc/94/94/79/822949479.db2.gz YPKSYSJDZWCUSZ-OAHLLOKOSA-N 2 2 390.409 4.102 20 0 GIADLP Fc1ccc(C2(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)CCCC2)c(F)c1 ZINC000186859547 822969355 /nfs/dbraw/zinc/96/93/55/822969355.db2.gz AKXFKSQUGYKSND-UHFFFAOYSA-N 2 2 385.502 4.426 20 0 GIADLP COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000190441675 823574735 /nfs/dbraw/zinc/57/47/35/823574735.db2.gz JLNOBAGOUCBKPR-AWEZNQCLSA-N 2 2 386.293 4.494 20 0 GIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1C ZINC000411481444 823580082 /nfs/dbraw/zinc/58/00/82/823580082.db2.gz XMEGJOOJSNPYGH-ZBFHGGJFSA-N 2 2 392.503 4.250 20 0 GIADLP Clc1ccc(-c2noc(CC[NH+]3CCC(CCCn4cc[nH+]c4)CC3)n2)cc1 ZINC000411498863 823581738 /nfs/dbraw/zinc/58/17/38/823581738.db2.gz BYXDRSCTSXBULZ-UHFFFAOYSA-N 2 2 399.926 4.321 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2ncco2)cc1F ZINC000411552180 823587480 /nfs/dbraw/zinc/58/74/80/823587480.db2.gz OMMRLSAAAWOUKM-VGSWGCGISA-N 2 2 379.479 4.481 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2ncco2)cc1F ZINC000411552180 823587484 /nfs/dbraw/zinc/58/74/84/823587484.db2.gz OMMRLSAAAWOUKM-VGSWGCGISA-N 2 2 379.479 4.481 20 0 GIADLP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC000124342783 823588715 /nfs/dbraw/zinc/58/87/15/823588715.db2.gz HQIQLGFPPDSFSO-CQSZACIVSA-N 2 2 390.325 4.172 20 0 GIADLP CCc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124620186 823611836 /nfs/dbraw/zinc/61/18/36/823611836.db2.gz FDRSJGDAOKUISJ-WOJBJXKFSA-N 2 2 391.625 4.028 20 0 GIADLP CCc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124620186 823611837 /nfs/dbraw/zinc/61/18/37/823611837.db2.gz FDRSJGDAOKUISJ-WOJBJXKFSA-N 2 2 391.625 4.028 20 0 GIADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254476 823626714 /nfs/dbraw/zinc/62/67/14/823626714.db2.gz XLGMCSMEIFBFPD-AWEZNQCLSA-N 2 2 392.334 4.169 20 0 GIADLP Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cnn1C(C)(C)C ZINC000191312308 823670400 /nfs/dbraw/zinc/67/04/00/823670400.db2.gz ZYEXBLDJFPVOQR-QGZVFWFLSA-N 2 2 383.584 4.332 20 0 GIADLP COc1ccccc1-c1csc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000191518589 823694589 /nfs/dbraw/zinc/69/45/89/823694589.db2.gz UMXZONUXJWUNTM-UHFFFAOYSA-N 2 2 382.533 4.285 20 0 GIADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)CCS2 ZINC000191536447 823697216 /nfs/dbraw/zinc/69/72/16/823697216.db2.gz XUPSHUXERPFSJT-IIBYNOLFSA-N 2 2 383.561 4.442 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)s1 ZINC000163700449 823739219 /nfs/dbraw/zinc/73/92/19/823739219.db2.gz BHMIBVOVAQQVHL-CQSZACIVSA-N 2 2 395.366 4.194 20 0 GIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163736773 823743399 /nfs/dbraw/zinc/74/33/99/823743399.db2.gz SWCSBOIPJWKKOC-INIZCTEOSA-N 2 2 387.593 4.432 20 0 GIADLP Cc1cccn2c(CNc3ccc(NC(=O)CC[NH+]4CCCCC4)cc3)c[nH+]c12 ZINC000126171853 823804965 /nfs/dbraw/zinc/80/49/65/823804965.db2.gz GKSMJTRBPGSDRV-UHFFFAOYSA-N 2 2 391.519 4.069 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)cn1 ZINC000126322584 823839763 /nfs/dbraw/zinc/83/97/63/823839763.db2.gz ULDFJGGDKKSXGL-ZDUSSCGKSA-N 2 2 376.382 4.325 20 0 GIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166714271 823881954 /nfs/dbraw/zinc/88/19/54/823881954.db2.gz HDNRCOUAXJSNEC-CPJSRVTESA-N 2 2 393.575 4.479 20 0 GIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000192163896 823887679 /nfs/dbraw/zinc/88/76/79/823887679.db2.gz LZZQWSIXRGNRKM-QHCPKHFHSA-N 2 2 375.472 4.193 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1csc(-c2ccccc2)n1 ZINC000414065002 823898878 /nfs/dbraw/zinc/89/88/78/823898878.db2.gz OARKOLUKLWSVOZ-SFHVURJKSA-N 2 2 393.556 4.493 20 0 GIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311333 823952394 /nfs/dbraw/zinc/95/23/94/823952394.db2.gz BFMXEUMIIYQNQR-SFTDATJTSA-N 2 2 393.579 4.242 20 0 GIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311333 823952406 /nfs/dbraw/zinc/95/24/06/823952406.db2.gz BFMXEUMIIYQNQR-SFTDATJTSA-N 2 2 393.579 4.242 20 0 GIADLP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000126803351 823955251 /nfs/dbraw/zinc/95/52/51/823955251.db2.gz IFBSVAUJZFZWLM-QFIPXVFZSA-N 3 2 397.632 4.257 20 0 GIADLP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000126803351 823955259 /nfs/dbraw/zinc/95/52/59/823955259.db2.gz IFBSVAUJZFZWLM-QFIPXVFZSA-N 3 2 397.632 4.257 20 0 GIADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c2ccccc12 ZINC001164843062 720538402 /nfs/dbraw/zinc/53/84/02/720538402.db2.gz ZUEHJIYPADYXEG-SXWKCWPCSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c2ccccc12 ZINC001164843062 720538405 /nfs/dbraw/zinc/53/84/05/720538405.db2.gz ZUEHJIYPADYXEG-SXWKCWPCSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c2ccccc12 ZINC001164843066 720538960 /nfs/dbraw/zinc/53/89/60/720538960.db2.gz ZUEHJIYPADYXEG-ZRCGQRJVSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c2ccccc12 ZINC001164843066 720538972 /nfs/dbraw/zinc/53/89/72/720538972.db2.gz ZUEHJIYPADYXEG-ZRCGQRJVSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164838052 720541569 /nfs/dbraw/zinc/54/15/69/720541569.db2.gz NRBRDHILBLFUDO-QNWVGRARSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164838052 720541572 /nfs/dbraw/zinc/54/15/72/720541572.db2.gz NRBRDHILBLFUDO-QNWVGRARSA-N 2 2 389.547 4.118 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000121248320 823147236 /nfs/dbraw/zinc/14/72/36/823147236.db2.gz YEGSEZBLTZOIJZ-INIZCTEOSA-N 2 2 398.576 4.347 20 0 GIADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000571222613 823151286 /nfs/dbraw/zinc/15/12/86/823151286.db2.gz UFIBYCAFJXSAIT-GOSISDBHSA-N 2 2 395.334 4.153 20 0 GIADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000571222613 823151289 /nfs/dbraw/zinc/15/12/89/823151289.db2.gz UFIBYCAFJXSAIT-GOSISDBHSA-N 2 2 395.334 4.153 20 0 GIADLP COc1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c(-c2ccccc2)cc1OC ZINC000572039037 823272636 /nfs/dbraw/zinc/27/26/36/823272636.db2.gz RDQDCPVUAVGCRR-UHFFFAOYSA-N 2 2 380.532 4.335 20 0 GIADLP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4c(Br)ccc(F)c34)CC[C@@H]21 ZINC000409731291 823293135 /nfs/dbraw/zinc/29/31/35/823293135.db2.gz YSLZLOBLVUTZCK-WFASDCNBSA-N 2 2 378.289 4.057 20 0 GIADLP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4c(Br)ccc(F)c34)CC[C@@H]21 ZINC000409731291 823293137 /nfs/dbraw/zinc/29/31/37/823293137.db2.gz YSLZLOBLVUTZCK-WFASDCNBSA-N 2 2 378.289 4.057 20 0 GIADLP COCc1cc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)ccc1OC ZINC000122347793 823341968 /nfs/dbraw/zinc/34/19/68/823341968.db2.gz MKBHYFBIVHQVNH-SFHVURJKSA-N 2 2 397.563 4.227 20 0 GIADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(F)c1 ZINC000057889420 823345352 /nfs/dbraw/zinc/34/53/52/823345352.db2.gz AVVCQXRJLDIEKZ-GOSISDBHSA-N 2 2 375.532 4.049 20 0 GIADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000022290275 818790638 /nfs/dbraw/zinc/79/06/38/818790638.db2.gz BKGIXGNXGHFTDD-UHFFFAOYSA-N 2 2 398.576 4.367 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)cc1 ZINC000177228276 823404896 /nfs/dbraw/zinc/40/48/96/823404896.db2.gz LAXKOPAGOQPKTQ-INIZCTEOSA-N 2 2 389.337 4.132 20 0 GIADLP Clc1ccccc1Cn1cc(C[NH2+]CCn2cc[nH+]c2)c(-c2ccccc2)n1 ZINC000026309328 820080815 /nfs/dbraw/zinc/08/08/15/820080815.db2.gz GPUGKOMWOGQLLC-UHFFFAOYSA-N 2 2 391.906 4.238 20 0 GIADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123362841 823501659 /nfs/dbraw/zinc/50/16/59/823501659.db2.gz MNYHZRJIVJZLSW-AWEZNQCLSA-N 2 2 386.367 4.374 20 0 GIADLP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180917222 821536760 /nfs/dbraw/zinc/53/67/60/821536760.db2.gz VGQIXKIHYRXLMX-UHFFFAOYSA-N 2 2 382.426 4.166 20 0 GIADLP C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181008383 821590421 /nfs/dbraw/zinc/59/04/21/821590421.db2.gz QGVBWZHSCFFQKI-MRXNPFEDSA-N 2 2 375.501 4.284 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)on1 ZINC000181134335 821654407 /nfs/dbraw/zinc/65/44/07/821654407.db2.gz FLRPOWSLERYHIN-SJLPKXTDSA-N 2 2 379.504 4.418 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)on1 ZINC000181134335 821654414 /nfs/dbraw/zinc/65/44/14/821654414.db2.gz FLRPOWSLERYHIN-SJLPKXTDSA-N 2 2 379.504 4.418 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)on1 ZINC000181134335 821654421 /nfs/dbraw/zinc/65/44/21/821654421.db2.gz FLRPOWSLERYHIN-SJLPKXTDSA-N 2 2 379.504 4.418 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)on1 ZINC000181134335 821654425 /nfs/dbraw/zinc/65/44/25/821654425.db2.gz FLRPOWSLERYHIN-SJLPKXTDSA-N 2 2 379.504 4.418 20 0 GIADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181136022 821655916 /nfs/dbraw/zinc/65/59/16/821655916.db2.gz ADOSOYPXXIDNHC-KRWDZBQOSA-N 2 2 379.504 4.277 20 0 GIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181136022 821655921 /nfs/dbraw/zinc/65/59/21/821655921.db2.gz ADOSOYPXXIDNHC-KRWDZBQOSA-N 2 2 379.504 4.277 20 0 GIADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181136022 821655925 /nfs/dbraw/zinc/65/59/25/821655925.db2.gz ADOSOYPXXIDNHC-KRWDZBQOSA-N 2 2 379.504 4.277 20 0 GIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181136022 821655930 /nfs/dbraw/zinc/65/59/30/821655930.db2.gz ADOSOYPXXIDNHC-KRWDZBQOSA-N 2 2 379.504 4.277 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@H+](C)CCCn2cc[nH+]c2)on1 ZINC000181207412 821697672 /nfs/dbraw/zinc/69/76/72/821697672.db2.gz DSVSBXHIJDFXIW-UHFFFAOYSA-N 2 2 376.460 4.222 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)CCCn2cc[nH+]c2)on1 ZINC000181207412 821697676 /nfs/dbraw/zinc/69/76/76/821697676.db2.gz DSVSBXHIJDFXIW-UHFFFAOYSA-N 2 2 376.460 4.222 20 0 GIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000181586105 821891034 /nfs/dbraw/zinc/89/10/34/821891034.db2.gz BOZCJSBBWQSLJK-VQTJNVASSA-N 2 2 389.547 4.203 20 0 GIADLP C[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181610509 821902220 /nfs/dbraw/zinc/90/22/20/821902220.db2.gz LINNBUWLTXTHKL-LJQANCHMSA-N 2 2 391.515 4.419 20 0 GIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000182089414 822088652 /nfs/dbraw/zinc/08/86/52/822088652.db2.gz QIFWNBAGRDPBQZ-OAHLLOKOSA-N 2 2 399.336 4.186 20 0 GIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000182089414 822088657 /nfs/dbraw/zinc/08/86/57/822088657.db2.gz QIFWNBAGRDPBQZ-OAHLLOKOSA-N 2 2 399.336 4.186 20 0 GIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000182089397 822088887 /nfs/dbraw/zinc/08/88/87/822088887.db2.gz QIFWNBAGRDPBQZ-HNNXBMFYSA-N 2 2 399.336 4.186 20 0 GIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000182089397 822088896 /nfs/dbraw/zinc/08/88/96/822088896.db2.gz QIFWNBAGRDPBQZ-HNNXBMFYSA-N 2 2 399.336 4.186 20 0 GIADLP CC[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(Cl)cc1 ZINC000182307075 822196730 /nfs/dbraw/zinc/19/67/30/822196730.db2.gz XIIHLPQFYWGLNC-KRWDZBQOSA-N 2 2 392.956 4.072 20 0 GIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178301364 822364938 /nfs/dbraw/zinc/36/49/38/822364938.db2.gz FGILRCKHBUKUJZ-CVDCTZTESA-N 2 2 388.515 4.269 20 0 GIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178301364 822364941 /nfs/dbraw/zinc/36/49/41/822364941.db2.gz FGILRCKHBUKUJZ-CVDCTZTESA-N 2 2 388.515 4.269 20 0 GIADLP C[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183104177 822424835 /nfs/dbraw/zinc/42/48/35/822424835.db2.gz MPGQOOMIHNDULT-DOTOQJQBSA-N 2 2 399.560 4.281 20 0 GIADLP C[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183104177 822424837 /nfs/dbraw/zinc/42/48/37/822424837.db2.gz MPGQOOMIHNDULT-DOTOQJQBSA-N 2 2 399.560 4.281 20 0 GIADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000047723545 822603919 /nfs/dbraw/zinc/60/39/19/822603919.db2.gz FTVCXSUKZDOZAV-QGZVFWFLSA-N 2 2 377.492 4.253 20 0 GIADLP CC[C@@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000180126480 822620931 /nfs/dbraw/zinc/62/09/31/822620931.db2.gz UKSIVJNZQKIKMA-QGZVFWFLSA-N 2 2 378.973 4.098 20 0 GIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180215276 822640940 /nfs/dbraw/zinc/64/09/40/822640940.db2.gz DBAUYFPRRXMWDX-OAHLLOKOSA-N 2 2 376.342 4.161 20 0 GIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180215276 822640943 /nfs/dbraw/zinc/64/09/43/822640943.db2.gz DBAUYFPRRXMWDX-OAHLLOKOSA-N 2 2 376.342 4.161 20 0 GIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180215276 822640945 /nfs/dbraw/zinc/64/09/45/822640945.db2.gz DBAUYFPRRXMWDX-OAHLLOKOSA-N 2 2 376.342 4.161 20 0 GIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180215276 822640948 /nfs/dbraw/zinc/64/09/48/822640948.db2.gz DBAUYFPRRXMWDX-OAHLLOKOSA-N 2 2 376.342 4.161 20 0 GIADLP Cc1ccc([C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180266531 822651218 /nfs/dbraw/zinc/65/12/18/822651218.db2.gz YDIULQQNOQAXEV-XMMPIXPASA-N 2 2 386.543 4.021 20 0 GIADLP Cc1cc(C)c(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c(C)[nH+]1 ZINC000455465669 822659835 /nfs/dbraw/zinc/65/98/35/822659835.db2.gz FBLZMWSNGIEEMK-UHFFFAOYSA-N 2 2 380.536 4.179 20 0 GIADLP Cc1cc(C)c(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c(C)[nH+]1 ZINC000455465669 822659840 /nfs/dbraw/zinc/65/98/40/822659840.db2.gz FBLZMWSNGIEEMK-UHFFFAOYSA-N 2 2 380.536 4.179 20 0 GIADLP Cc1cc(C)c(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c(C)[nH+]1 ZINC000455493493 822665388 /nfs/dbraw/zinc/66/53/88/822665388.db2.gz MEIVAPAEWQOLGK-QGZVFWFLSA-N 2 2 394.441 4.450 20 0 GIADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C)[nH+]1 ZINC000455530993 822671291 /nfs/dbraw/zinc/67/12/91/822671291.db2.gz RZFWZGAKHFASFF-FQEVSTJZSA-N 2 2 380.536 4.429 20 0 GIADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)[nH+]1 ZINC000455530993 822671292 /nfs/dbraw/zinc/67/12/92/822671292.db2.gz RZFWZGAKHFASFF-FQEVSTJZSA-N 2 2 380.536 4.429 20 0 GIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000174294722 822765472 /nfs/dbraw/zinc/76/54/72/822765472.db2.gz VVAZUJBUDSEQAI-LJQANCHMSA-N 2 2 395.547 4.055 20 0 GIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000174295083 822765625 /nfs/dbraw/zinc/76/56/25/822765625.db2.gz FDCRAFCLWURDGT-LBPRGKRZSA-N 2 2 391.865 4.148 20 0 GIADLP C[C@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730346 822815540 /nfs/dbraw/zinc/81/55/40/822815540.db2.gz MPHPEQOEGVBOMZ-LSDHHAIUSA-N 2 2 375.463 4.362 20 0 GIADLP C[C@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730346 822815543 /nfs/dbraw/zinc/81/55/43/822815543.db2.gz MPHPEQOEGVBOMZ-LSDHHAIUSA-N 2 2 375.463 4.362 20 0 GIADLP O=C(CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Br)cc1 ZINC000569391697 822915550 /nfs/dbraw/zinc/91/55/50/822915550.db2.gz ZRBPNNZGPYBXGF-UHFFFAOYSA-N 2 2 376.298 4.015 20 0 GIADLP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@H](c3ccccc3)c3cncnc3)C2)cc1 ZINC000570205917 823015140 /nfs/dbraw/zinc/01/51/40/823015140.db2.gz ROYWWNGDMQWYSA-RCZVLFRGSA-N 2 2 386.543 4.458 20 0 GIADLP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@H](c3ccccc3)c3cncnc3)C2)cc1 ZINC000570205917 823015144 /nfs/dbraw/zinc/01/51/44/823015144.db2.gz ROYWWNGDMQWYSA-RCZVLFRGSA-N 2 2 386.543 4.458 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ncc(Br)cc1F ZINC000187209286 823025397 /nfs/dbraw/zinc/02/53/97/823025397.db2.gz HNNBODSNCYYJGL-NSHDSACASA-N 2 2 384.268 4.035 20 0 GIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cnc3ccc(C)cc3c2)[C@@H]1c1cnn(C)c1 ZINC000411583249 823589195 /nfs/dbraw/zinc/58/91/95/823589195.db2.gz NJEZOCMRBUQUDH-GBXCKJPGSA-N 2 2 391.563 4.182 20 0 GIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cnc3ccc(C)cc3c2)[C@@H]1c1cnn(C)c1 ZINC000411583249 823589198 /nfs/dbraw/zinc/58/91/98/823589198.db2.gz NJEZOCMRBUQUDH-GBXCKJPGSA-N 2 2 391.563 4.182 20 0 GIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cnc3ccc(C)cc3c2)[C@@H]1c1cnn(C)c1 ZINC000411583249 823589200 /nfs/dbraw/zinc/58/92/00/823589200.db2.gz NJEZOCMRBUQUDH-GBXCKJPGSA-N 2 2 391.563 4.182 20 0 GIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cnc3ccc(C)cc3c2)[C@@H]1c1cnn(C)c1 ZINC000411583249 823589202 /nfs/dbraw/zinc/58/92/02/823589202.db2.gz NJEZOCMRBUQUDH-GBXCKJPGSA-N 2 2 391.563 4.182 20 0 GIADLP Fc1cc(-c2ncco2)ccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000411687145 823597145 /nfs/dbraw/zinc/59/71/45/823597145.db2.gz FKFHIUDCFROEEP-GOSISDBHSA-N 2 2 380.467 4.393 20 0 GIADLP Fc1cc(-c2ncco2)ccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000411687145 823597149 /nfs/dbraw/zinc/59/71/49/823597149.db2.gz FKFHIUDCFROEEP-GOSISDBHSA-N 2 2 380.467 4.393 20 0 GIADLP CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124524418 823603513 /nfs/dbraw/zinc/60/35/13/823603513.db2.gz MFBHHNFQXDCRIO-ZEQRLZLVSA-N 2 2 393.575 4.249 20 0 GIADLP CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124524418 823603515 /nfs/dbraw/zinc/60/35/15/823603515.db2.gz MFBHHNFQXDCRIO-ZEQRLZLVSA-N 2 2 393.575 4.249 20 0 GIADLP C[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1)Cn1cc[nH+]c1 ZINC000062254471 823626779 /nfs/dbraw/zinc/62/67/79/823626779.db2.gz IAXGHPZLJQBMIP-SFHVURJKSA-N 2 2 391.544 4.282 20 0 GIADLP C[C@@H](c1nnc(SCC[C@@H]2CCC[N@@H+]2C)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000125075139 823650063 /nfs/dbraw/zinc/65/00/63/823650063.db2.gz PTPJTGPANKSAEL-OALUTQOASA-N 2 2 399.608 4.391 20 0 GIADLP C[C@@H](c1nnc(SCC[C@@H]2CCC[N@H+]2C)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000125075139 823650066 /nfs/dbraw/zinc/65/00/66/823650066.db2.gz PTPJTGPANKSAEL-OALUTQOASA-N 2 2 399.608 4.391 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000191482364 823689485 /nfs/dbraw/zinc/68/94/85/823689485.db2.gz CSBALYUALYDFIG-UHFFFAOYSA-N 2 2 383.323 4.103 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000191482364 823689487 /nfs/dbraw/zinc/68/94/87/823689487.db2.gz CSBALYUALYDFIG-UHFFFAOYSA-N 2 2 383.323 4.103 20 0 GIADLP C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125646310 823692983 /nfs/dbraw/zinc/69/29/83/823692983.db2.gz PWJFFNZOTQJPDA-KUHUBIRLSA-N 2 2 391.393 4.155 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)s1 ZINC000163700333 823739382 /nfs/dbraw/zinc/73/93/82/823739382.db2.gz BHMIBVOVAQQVHL-AWEZNQCLSA-N 2 2 395.366 4.194 20 0 GIADLP CCn1nccc1CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000574620491 823783865 /nfs/dbraw/zinc/78/38/65/823783865.db2.gz PJQFHGUNTDLHII-UHFFFAOYSA-N 2 2 394.485 4.061 20 0 GIADLP CCn1nccc1CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000574620491 823783876 /nfs/dbraw/zinc/78/38/76/823783876.db2.gz PJQFHGUNTDLHII-UHFFFAOYSA-N 2 2 394.485 4.061 20 0 GIADLP Cc1cccn2c(CNc3cccc(NC(=O)C[NH+]4CCCCCC4)c3)c[nH+]c12 ZINC000126141538 823798410 /nfs/dbraw/zinc/79/84/10/823798410.db2.gz LPSITGIEAAFVGE-UHFFFAOYSA-N 2 2 391.519 4.069 20 0 GIADLP CN(C(=O)Nc1ccccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165540540 823852917 /nfs/dbraw/zinc/85/29/17/823852917.db2.gz FQGAKOVTTWARLJ-UXHICEINSA-N 2 2 392.975 4.141 20 0 GIADLP CN(C(=O)Nc1ccccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165540540 823852927 /nfs/dbraw/zinc/85/29/27/823852927.db2.gz FQGAKOVTTWARLJ-UXHICEINSA-N 2 2 392.975 4.141 20 0 GIADLP c1cc2c(s1)CC[NH+]([C@@H](CN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172421 823871501 /nfs/dbraw/zinc/87/15/01/823871501.db2.gz VZYBKSMJNMVHHY-BDTNDASRSA-N 2 2 381.589 4.064 20 0 GIADLP c1cc2c(s1)CC[NH+]([C@@H](CN[C@H]1CC[N@H+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172421 823871512 /nfs/dbraw/zinc/87/15/12/823871512.db2.gz VZYBKSMJNMVHHY-BDTNDASRSA-N 2 2 381.589 4.064 20 0 GIADLP c1cc2c(s1)CC[N@@H+]([C@@H](CN[C@H]1CC[NH+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172421 823871522 /nfs/dbraw/zinc/87/15/22/823871522.db2.gz VZYBKSMJNMVHHY-BDTNDASRSA-N 2 2 381.589 4.064 20 0 GIADLP c1cc2c(s1)CC[N@H+]([C@@H](CN[C@H]1CC[NH+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172421 823871531 /nfs/dbraw/zinc/87/15/31/823871531.db2.gz VZYBKSMJNMVHHY-BDTNDASRSA-N 2 2 381.589 4.064 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)cn1 ZINC000126573497 823902316 /nfs/dbraw/zinc/90/23/16/823902316.db2.gz YKWSPHWZEVXPKO-QFIPXVFZSA-N 2 2 388.515 4.458 20 0 GIADLP COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(F)c1 ZINC000126669908 823923442 /nfs/dbraw/zinc/92/34/42/823923442.db2.gz YHCBFUAHLVZCOV-JKSUJKDBSA-N 2 2 389.490 4.137 20 0 GIADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccnc1Cl ZINC000126693863 823929298 /nfs/dbraw/zinc/92/92/98/823929298.db2.gz SVKALAYZBPJSFC-HUUCEWRRSA-N 2 2 376.907 4.038 20 0 GIADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1c[nH+]c(C)n1-c1ccccc1)Cc1ccncc1 ZINC000575218613 823942773 /nfs/dbraw/zinc/94/27/73/823942773.db2.gz HICPUTLHQFDLRH-HSZRJFAPSA-N 2 2 389.547 4.062 20 0 GIADLP CC[N@H+]1CCC[C@@H]1CN(Cc1c[nH+]c(C)n1-c1ccccc1)Cc1ccncc1 ZINC000575218613 823942784 /nfs/dbraw/zinc/94/27/84/823942784.db2.gz HICPUTLHQFDLRH-HSZRJFAPSA-N 2 2 389.547 4.062 20 0 GIADLP Cc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)s1 ZINC000575368473 823963837 /nfs/dbraw/zinc/96/38/37/823963837.db2.gz GWUQKZXCBHXWPE-UHFFFAOYSA-N 2 2 380.311 4.311 20 0 GIADLP Cc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)s1 ZINC000575368473 823963846 /nfs/dbraw/zinc/96/38/46/823963846.db2.gz GWUQKZXCBHXWPE-UHFFFAOYSA-N 2 2 380.311 4.311 20 0 GIADLP COc1cccc2c1CC[C@@H]([NH2+]c1ccc(N3CCC([NH+](C)C)CC3)cc1)C2 ZINC000192446978 823995716 /nfs/dbraw/zinc/99/57/16/823995716.db2.gz VLMRQAQAIYMDCH-HXUWFJFHSA-N 2 2 379.548 4.195 20 0 GIADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)c1C ZINC000414939857 824052359 /nfs/dbraw/zinc/05/23/59/824052359.db2.gz JXWWCEWIIQRTBV-HXOBKFHXSA-N 2 2 375.516 4.463 20 0 GIADLP CC(C)(C)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)[nH+]c1 ZINC001164707298 719910119 /nfs/dbraw/zinc/91/01/19/719910119.db2.gz OVYRNEYWZVRZCI-UHFFFAOYSA-N 2 2 385.577 4.312 20 0 GIADLP CC(C)(C)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH+]c1 ZINC001164707298 719910124 /nfs/dbraw/zinc/91/01/24/719910124.db2.gz OVYRNEYWZVRZCI-UHFFFAOYSA-N 2 2 385.577 4.312 20 0 GIADLP CC[N@H+](CCc1c[nH+]cn1C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000459341628 823165512 /nfs/dbraw/zinc/16/55/12/823165512.db2.gz PZJKIRLKSFCXHZ-MRXNPFEDSA-N 2 2 380.355 4.284 20 0 GIADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000459341628 823165516 /nfs/dbraw/zinc/16/55/16/823165516.db2.gz PZJKIRLKSFCXHZ-MRXNPFEDSA-N 2 2 380.355 4.284 20 0 GIADLP CC1CC[NH+]([C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)CC1 ZINC000459371174 823174829 /nfs/dbraw/zinc/17/48/29/823174829.db2.gz JFBJEBPNSAYEBV-DEOSSOPVSA-N 3 2 378.564 4.113 20 0 GIADLP Fc1ccc([C@H](Cn2cnc3ccccc32)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459413171 823187394 /nfs/dbraw/zinc/18/73/94/823187394.db2.gz SZIFGAXQSPQJQU-QFIPXVFZSA-N 2 2 378.495 4.133 20 0 GIADLP COCc1nc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000571845084 823244601 /nfs/dbraw/zinc/24/46/01/823244601.db2.gz UGWCLROFYUBZDD-SESVDKBCSA-N 2 2 385.577 4.070 20 0 GIADLP COCc1nc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000571845084 823244609 /nfs/dbraw/zinc/24/46/09/823244609.db2.gz UGWCLROFYUBZDD-SESVDKBCSA-N 2 2 385.577 4.070 20 0 GIADLP Brc1ccccc1-c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000572327097 823321152 /nfs/dbraw/zinc/32/11/52/823321152.db2.gz UQYFGVLFAMDATR-INIZCTEOSA-N 2 2 382.305 4.486 20 0 GIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000122323966 823338181 /nfs/dbraw/zinc/33/81/81/823338181.db2.gz IATAXVQYMYRPIO-UHFFFAOYSA-N 3 2 384.612 4.108 20 0 GIADLP C[N@H+](CCc1ccc(F)cc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000572926873 823421153 /nfs/dbraw/zinc/42/11/53/823421153.db2.gz RSCFAGVBODMDKI-UHFFFAOYSA-N 2 2 375.919 4.056 20 0 GIADLP C[N@@H+](CCc1ccc(F)cc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000572926873 823421155 /nfs/dbraw/zinc/42/11/55/823421155.db2.gz RSCFAGVBODMDKI-UHFFFAOYSA-N 2 2 375.919 4.056 20 0 GIADLP CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000026309304 820081035 /nfs/dbraw/zinc/08/10/35/820081035.db2.gz MZLSOIVEAGWWER-UHFFFAOYSA-N 2 2 385.515 4.396 20 0 GIADLP Cc1cc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccc1F ZINC000573140376 823454352 /nfs/dbraw/zinc/45/43/52/823454352.db2.gz MDHUMFVCCGRRFA-UHFFFAOYSA-N 2 2 392.272 4.389 20 0 GIADLP Cc1cc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccc1F ZINC000573140376 823454355 /nfs/dbraw/zinc/45/43/55/823454355.db2.gz MDHUMFVCCGRRFA-UHFFFAOYSA-N 2 2 392.272 4.389 20 0 GIADLP Cc1c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)sc2nc(C)nc(C)c12 ZINC000030651553 820658459 /nfs/dbraw/zinc/65/84/59/820658459.db2.gz VSFVGBTZYHFJAY-UHFFFAOYSA-N 2 2 377.517 4.151 20 0 GIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000041650565 821216064 /nfs/dbraw/zinc/21/60/64/821216064.db2.gz XKMQJULOLUFQAU-GHMZBOCLSA-N 2 2 387.119 4.147 20 0 GIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000181055327 821612782 /nfs/dbraw/zinc/61/27/82/821612782.db2.gz PQNXXWTUBFDIJD-UHFFFAOYSA-N 2 2 393.922 4.457 20 0 GIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000181055327 821612788 /nfs/dbraw/zinc/61/27/88/821612788.db2.gz PQNXXWTUBFDIJD-UHFFFAOYSA-N 2 2 393.922 4.457 20 0 GIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnc(Cl)s2)cc1 ZINC000181240332 821714489 /nfs/dbraw/zinc/71/44/89/821714489.db2.gz WSUGAFBXKDZKLN-UHFFFAOYSA-N 2 2 390.940 4.484 20 0 GIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnc(Cl)s2)cc1 ZINC000181240332 821714492 /nfs/dbraw/zinc/71/44/92/821714492.db2.gz WSUGAFBXKDZKLN-UHFFFAOYSA-N 2 2 390.940 4.484 20 0 GIADLP C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181394866 821805482 /nfs/dbraw/zinc/80/54/82/821805482.db2.gz IMDOYBBAYFFRSZ-IFXJQAMLSA-N 2 2 386.293 4.019 20 0 GIADLP CCCc1nc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cs1 ZINC000181626634 821910739 /nfs/dbraw/zinc/91/07/39/821910739.db2.gz ZPLBALUDSLXBJZ-MRXNPFEDSA-N 2 2 390.572 4.227 20 0 GIADLP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000181756050 821978283 /nfs/dbraw/zinc/97/82/83/821978283.db2.gz PJVSCUKUSJGMEC-LAUBAEHRSA-N 2 2 387.955 4.176 20 0 GIADLP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000181756050 821978291 /nfs/dbraw/zinc/97/82/91/821978291.db2.gz PJVSCUKUSJGMEC-LAUBAEHRSA-N 2 2 387.955 4.176 20 0 GIADLP Cc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1Oc1cccnc1 ZINC000182090526 822089832 /nfs/dbraw/zinc/08/98/32/822089832.db2.gz LHACJODEWKZUIL-IBGZPJMESA-N 2 2 376.504 4.371 20 0 GIADLP Cc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1Oc1cccnc1 ZINC000182090526 822089840 /nfs/dbraw/zinc/08/98/40/822089840.db2.gz LHACJODEWKZUIL-IBGZPJMESA-N 2 2 376.504 4.371 20 0 GIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1NC(C)=O ZINC000177969523 822261986 /nfs/dbraw/zinc/26/19/86/822261986.db2.gz TZPPANJHJIBXMF-SFHVURJKSA-N 2 2 395.547 4.011 20 0 GIADLP C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177976899 822266702 /nfs/dbraw/zinc/26/67/02/822266702.db2.gz ISOCVWBHPPIDCI-MSOLQXFVSA-N 2 2 384.524 4.170 20 0 GIADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccc(F)c(F)c1 ZINC000182602333 822319192 /nfs/dbraw/zinc/31/91/92/822319192.db2.gz CBCKQVKESXWWGY-LJQANCHMSA-N 2 2 375.394 4.075 20 0 GIADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691956 822353260 /nfs/dbraw/zinc/35/32/60/822353260.db2.gz AMLPGDFNPVAXRX-FOIQADDNSA-N 2 2 380.504 4.216 20 0 GIADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691956 822353268 /nfs/dbraw/zinc/35/32/68/822353268.db2.gz AMLPGDFNPVAXRX-FOIQADDNSA-N 2 2 380.504 4.216 20 0 GIADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000183078060 822421583 /nfs/dbraw/zinc/42/15/83/822421583.db2.gz VCOLROSABUQDHO-DNQXCXABSA-N 2 2 394.559 4.220 20 0 GIADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000183258696 822449595 /nfs/dbraw/zinc/44/95/95/822449595.db2.gz FZHXHYNAOYTSNL-CABCVRRESA-N 2 2 377.454 4.268 20 0 GIADLP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1nccs1 ZINC000179600375 822510539 /nfs/dbraw/zinc/51/05/39/822510539.db2.gz FANJEBVRFNAPCQ-YJBOKZPZSA-N 2 2 383.521 4.033 20 0 GIADLP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183690299 822512150 /nfs/dbraw/zinc/51/21/50/822512150.db2.gz FOQSNQGOLMXSRP-AWEZNQCLSA-N 2 2 383.879 4.472 20 0 GIADLP Cc1cc(C)c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)[nH+]1 ZINC000455480672 822662814 /nfs/dbraw/zinc/66/28/14/822662814.db2.gz OJQRMKXXIRYOLP-SEJPIABJSA-N 2 2 378.520 4.324 20 0 GIADLP Cc1cc(C)c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)[nH+]1 ZINC000455480672 822662818 /nfs/dbraw/zinc/66/28/18/822662818.db2.gz OJQRMKXXIRYOLP-SEJPIABJSA-N 2 2 378.520 4.324 20 0 GIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(Br)ccc1O ZINC000185134076 822741334 /nfs/dbraw/zinc/74/13/34/822741334.db2.gz UDZLQOMIIJLRGK-GFCCVEGCSA-N 2 2 390.256 4.330 20 0 GIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000174294551 822765283 /nfs/dbraw/zinc/76/52/83/822765283.db2.gz QROYNDRODGVMTC-SFHVURJKSA-N 2 2 381.520 4.268 20 0 GIADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000174301819 822767253 /nfs/dbraw/zinc/76/72/53/822767253.db2.gz MGRSSFVNNXGCAB-LBPRGKRZSA-N 2 2 398.391 4.486 20 0 GIADLP CC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394285 822783372 /nfs/dbraw/zinc/78/33/72/822783372.db2.gz UXMXBWQGFOWCRH-UHFFFAOYSA-N 2 2 391.519 4.179 20 0 GIADLP CC[N@H+](Cc1nc(-c2cccc(C)c2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394285 822783375 /nfs/dbraw/zinc/78/33/75/822783375.db2.gz UXMXBWQGFOWCRH-UHFFFAOYSA-N 2 2 391.519 4.179 20 0 GIADLP C[C@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185715400 822813515 /nfs/dbraw/zinc/81/35/15/822813515.db2.gz BUUPJQHFPXXEPE-ZWKOTPCHSA-N 2 2 396.554 4.243 20 0 GIADLP C[C@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185715400 822813518 /nfs/dbraw/zinc/81/35/18/822813518.db2.gz BUUPJQHFPXXEPE-ZWKOTPCHSA-N 2 2 396.554 4.243 20 0 GIADLP C[C@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730382 822815507 /nfs/dbraw/zinc/81/55/07/822815507.db2.gz MPHPEQOEGVBOMZ-GJZGRUSLSA-N 2 2 375.463 4.362 20 0 GIADLP C[C@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730382 822815509 /nfs/dbraw/zinc/81/55/09/822815509.db2.gz MPHPEQOEGVBOMZ-GJZGRUSLSA-N 2 2 375.463 4.362 20 0 GIADLP C[N@H+](Cc1cc(Cl)cc2cccnc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658688 822819549 /nfs/dbraw/zinc/81/95/49/822819549.db2.gz KYLFFHJKVVXKMP-UHFFFAOYSA-N 2 2 394.950 4.422 20 0 GIADLP C[N@@H+](Cc1cc(Cl)cc2cccnc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658688 822819554 /nfs/dbraw/zinc/81/95/54/822819554.db2.gz KYLFFHJKVVXKMP-UHFFFAOYSA-N 2 2 394.950 4.422 20 0 GIADLP Cc1noc(C)c1C[NH+](C)Cc1cccc(C[N@H+](C)Cc2c(C)noc2C)c1 ZINC000054174701 822865834 /nfs/dbraw/zinc/86/58/34/822865834.db2.gz ADSNQWIKRYXSQL-UHFFFAOYSA-N 2 2 382.508 4.160 20 0 GIADLP Cc1noc(C)c1C[NH+](C)Cc1cccc(C[N@@H+](C)Cc2c(C)noc2C)c1 ZINC000054174701 822865836 /nfs/dbraw/zinc/86/58/36/822865836.db2.gz ADSNQWIKRYXSQL-UHFFFAOYSA-N 2 2 382.508 4.160 20 0 GIADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000569052356 822874189 /nfs/dbraw/zinc/87/41/89/822874189.db2.gz KHLJAFWTPZKPCN-QFIPXVFZSA-N 2 2 384.593 4.087 20 0 GIADLP CCN(CC)c1ncc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000569052356 822874191 /nfs/dbraw/zinc/87/41/91/822874191.db2.gz KHLJAFWTPZKPCN-QFIPXVFZSA-N 2 2 384.593 4.087 20 0 GIADLP CCN(CC)c1ncc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC000569052356 822874195 /nfs/dbraw/zinc/87/41/95/822874195.db2.gz KHLJAFWTPZKPCN-QFIPXVFZSA-N 2 2 384.593 4.087 20 0 GIADLP CCN(CC)c1ncc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)s1 ZINC000569052356 822874199 /nfs/dbraw/zinc/87/41/99/822874199.db2.gz KHLJAFWTPZKPCN-QFIPXVFZSA-N 2 2 384.593 4.087 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569054339 822874381 /nfs/dbraw/zinc/87/43/81/822874381.db2.gz HPBHXVRFGGVWRV-STZQEDGTSA-N 2 2 388.515 4.252 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569054339 822874382 /nfs/dbraw/zinc/87/43/82/822874382.db2.gz HPBHXVRFGGVWRV-STZQEDGTSA-N 2 2 388.515 4.252 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569054339 822874384 /nfs/dbraw/zinc/87/43/84/822874384.db2.gz HPBHXVRFGGVWRV-STZQEDGTSA-N 2 2 388.515 4.252 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569054339 822874386 /nfs/dbraw/zinc/87/43/86/822874386.db2.gz HPBHXVRFGGVWRV-STZQEDGTSA-N 2 2 388.515 4.252 20 0 GIADLP CC(C)Cc1ccc([C@H](CNC2CC[NH+](Cc3ccccn3)CC2)[NH+](C)C)cc1 ZINC000569373236 822912620 /nfs/dbraw/zinc/91/26/20/822912620.db2.gz JXAMOLYPOSEISV-VWLOTQADSA-N 2 2 394.607 4.137 20 0 GIADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1)C[C@@H]1CCCCO1 ZINC000569705982 822957255 /nfs/dbraw/zinc/95/72/55/822957255.db2.gz CMLWLKVWHRJOTG-AVRDEDQJSA-N 2 2 398.551 4.007 20 0 GIADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1)C[C@@H]1CCCCO1 ZINC000569705982 822957256 /nfs/dbraw/zinc/95/72/56/822957256.db2.gz CMLWLKVWHRJOTG-AVRDEDQJSA-N 2 2 398.551 4.007 20 0 GIADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000569705982 822957258 /nfs/dbraw/zinc/95/72/58/822957258.db2.gz CMLWLKVWHRJOTG-AVRDEDQJSA-N 2 2 398.551 4.007 20 0 GIADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000569705982 822957259 /nfs/dbraw/zinc/95/72/59/822957259.db2.gz CMLWLKVWHRJOTG-AVRDEDQJSA-N 2 2 398.551 4.007 20 0 GIADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1)C[C@H]1CCCCO1 ZINC000569705987 822957293 /nfs/dbraw/zinc/95/72/93/822957293.db2.gz CMLWLKVWHRJOTG-XMSQKQJNSA-N 2 2 398.551 4.007 20 0 GIADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1)C[C@H]1CCCCO1 ZINC000569705987 822957297 /nfs/dbraw/zinc/95/72/97/822957297.db2.gz CMLWLKVWHRJOTG-XMSQKQJNSA-N 2 2 398.551 4.007 20 0 GIADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1)C[C@H]1CCCCO1 ZINC000569705987 822957300 /nfs/dbraw/zinc/95/73/00/822957300.db2.gz CMLWLKVWHRJOTG-XMSQKQJNSA-N 2 2 398.551 4.007 20 0 GIADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1)C[C@H]1CCCCO1 ZINC000569705987 822957303 /nfs/dbraw/zinc/95/73/03/822957303.db2.gz CMLWLKVWHRJOTG-XMSQKQJNSA-N 2 2 398.551 4.007 20 0 GIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3nc2Cl)[C@H](C)C1 ZINC000187015302 822997894 /nfs/dbraw/zinc/99/78/94/822997894.db2.gz BYBZTFDOSRDMTC-VQIMIIECSA-N 2 2 375.944 4.115 20 0 GIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3nc2Cl)[C@H](C)C1 ZINC000187015302 822997898 /nfs/dbraw/zinc/99/78/98/822997898.db2.gz BYBZTFDOSRDMTC-VQIMIIECSA-N 2 2 375.944 4.115 20 0 GIADLP Fc1ccccc1COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000187066837 823005925 /nfs/dbraw/zinc/00/59/25/823005925.db2.gz CEXYAVKPDXIWLE-OAQYLSRUSA-N 2 2 383.511 4.250 20 0 GIADLP Fc1ccccc1COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000187066837 823005929 /nfs/dbraw/zinc/00/59/29/823005929.db2.gz CEXYAVKPDXIWLE-OAQYLSRUSA-N 2 2 383.511 4.250 20 0 GIADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000187125421 823014283 /nfs/dbraw/zinc/01/42/83/823014283.db2.gz DOLDKVMBZAMVJI-OFNKIYASSA-N 2 2 377.532 4.206 20 0 GIADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000187125421 823014287 /nfs/dbraw/zinc/01/42/87/823014287.db2.gz DOLDKVMBZAMVJI-OFNKIYASSA-N 2 2 377.532 4.206 20 0 GIADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000187125421 823014290 /nfs/dbraw/zinc/01/42/90/823014290.db2.gz DOLDKVMBZAMVJI-OFNKIYASSA-N 2 2 377.532 4.206 20 0 GIADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000187125421 823014292 /nfs/dbraw/zinc/01/42/92/823014292.db2.gz DOLDKVMBZAMVJI-OFNKIYASSA-N 2 2 377.532 4.206 20 0 GIADLP CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000570250283 823019167 /nfs/dbraw/zinc/01/91/67/823019167.db2.gz NSVFJJKPWOBVMB-NRFANRHFSA-N 2 2 397.526 4.472 20 0 GIADLP C[C@H](c1nnc(SCC[C@H]2CCC[N@@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000124294643 823584756 /nfs/dbraw/zinc/58/47/56/823584756.db2.gz ICQKYULUWMVAOJ-GDBMZVCRSA-N 2 2 393.988 4.120 20 0 GIADLP C[C@H](c1nnc(SCC[C@H]2CCC[N@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000124294643 823584760 /nfs/dbraw/zinc/58/47/60/823584760.db2.gz ICQKYULUWMVAOJ-GDBMZVCRSA-N 2 2 393.988 4.120 20 0 GIADLP C[C@@H](c1nnc(SCC[C@H]2CCC[N@@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000124294447 823584832 /nfs/dbraw/zinc/58/48/32/823584832.db2.gz ICQKYULUWMVAOJ-GOEBONIOSA-N 2 2 393.988 4.120 20 0 GIADLP C[C@@H](c1nnc(SCC[C@H]2CCC[N@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000124294447 823584834 /nfs/dbraw/zinc/58/48/34/823584834.db2.gz ICQKYULUWMVAOJ-GOEBONIOSA-N 2 2 393.988 4.120 20 0 GIADLP COc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC000124342531 823588727 /nfs/dbraw/zinc/58/87/27/823588727.db2.gz HQIQLGFPPDSFSO-AWEZNQCLSA-N 2 2 390.325 4.172 20 0 GIADLP Cc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000190695826 823599033 /nfs/dbraw/zinc/59/90/33/823599033.db2.gz PDUYAXQXVNENSP-JXFKEZNVSA-N 2 2 388.353 4.153 20 0 GIADLP Cc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000190695826 823599037 /nfs/dbraw/zinc/59/90/37/823599037.db2.gz PDUYAXQXVNENSP-JXFKEZNVSA-N 2 2 388.353 4.153 20 0 GIADLP COc1cccc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000190949164 823629075 /nfs/dbraw/zinc/62/90/75/823629075.db2.gz WRDMQDFZVSKADP-UHFFFAOYSA-N 2 2 384.483 4.292 20 0 GIADLP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125492781 823680574 /nfs/dbraw/zinc/68/05/74/823680574.db2.gz WJWRPHFWHGPVOB-GOSISDBHSA-N 3 2 380.561 4.497 20 0 GIADLP Clc1cccc2c1SCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163751566 823745268 /nfs/dbraw/zinc/74/52/68/823745268.db2.gz HKVWDZMDHAVYPH-HXUWFJFHSA-N 2 2 388.964 4.499 20 0 GIADLP Cc1cc(N2CC[NH+]([C@H](C)c3ccc(OC(F)F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000064139572 823753529 /nfs/dbraw/zinc/75/35/29/823753529.db2.gz IWDWMNRWKRZVGO-MRXNPFEDSA-N 2 2 390.478 4.393 20 0 GIADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000461918388 823753841 /nfs/dbraw/zinc/75/38/41/823753841.db2.gz KUMWUOZPPQJXLV-UHFFFAOYSA-N 2 2 395.551 4.188 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163946363 823764257 /nfs/dbraw/zinc/76/42/57/823764257.db2.gz PZMYGKYKHGDSOQ-BWKNWUBXSA-N 3 2 392.591 4.068 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163946363 823764265 /nfs/dbraw/zinc/76/42/65/823764265.db2.gz PZMYGKYKHGDSOQ-BWKNWUBXSA-N 3 2 392.591 4.068 20 0 GIADLP Clc1ccc(OCc2cccnc2)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000126049304 823774743 /nfs/dbraw/zinc/77/47/43/823774743.db2.gz VTDRAJRMMKNGRF-UHFFFAOYSA-N 2 2 394.906 4.031 20 0 GIADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831543 823789124 /nfs/dbraw/zinc/78/91/24/823789124.db2.gz AIPSZPHHYKPHHR-XLIONFOSSA-N 2 2 381.545 4.238 20 0 GIADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831543 823789134 /nfs/dbraw/zinc/78/91/34/823789134.db2.gz AIPSZPHHYKPHHR-XLIONFOSSA-N 2 2 381.545 4.238 20 0 GIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000192015456 823834928 /nfs/dbraw/zinc/83/49/28/823834928.db2.gz OLBIQQZRPGMLMB-QHCPKHFHSA-N 2 2 379.479 4.265 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)cn1 ZINC000126320073 823838763 /nfs/dbraw/zinc/83/87/63/823838763.db2.gz DAIICKALVPXYPS-LBPRGKRZSA-N 2 2 389.272 4.328 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cn1 ZINC000126356610 823847610 /nfs/dbraw/zinc/84/76/10/823847610.db2.gz UPCSDQDYGPMBCV-HNNXBMFYSA-N 2 2 390.466 4.060 20 0 GIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000165990492 823867870 /nfs/dbraw/zinc/86/78/70/823867870.db2.gz IPVINDPFKSKHOW-SIKLNZKXSA-N 2 2 398.547 4.208 20 0 GIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000165990492 823867876 /nfs/dbraw/zinc/86/78/76/823867876.db2.gz IPVINDPFKSKHOW-SIKLNZKXSA-N 2 2 398.547 4.208 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cn1 ZINC000126497549 823884205 /nfs/dbraw/zinc/88/42/05/823884205.db2.gz SCFCHYJOQAQZRJ-CYBMUJFWSA-N 2 2 376.382 4.325 20 0 GIADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1csc(-c2ccccc2)n1 ZINC000414060254 823898072 /nfs/dbraw/zinc/89/80/72/823898072.db2.gz JGRRKFFVDJQCLV-GOSISDBHSA-N 2 2 393.556 4.493 20 0 GIADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000126671718 823923873 /nfs/dbraw/zinc/92/38/73/823923873.db2.gz GTHCFVJFHYTGMZ-GJZGRUSLSA-N 2 2 377.454 4.268 20 0 GIADLP Clc1cc(Br)cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000414242088 823938056 /nfs/dbraw/zinc/93/80/56/823938056.db2.gz MSCVOSUMMYNEPQ-UHFFFAOYSA-N 2 2 380.717 4.256 20 0 GIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3(c4c(F)cccc4F)CCC3)sc2C1 ZINC000414512151 823998745 /nfs/dbraw/zinc/99/87/45/823998745.db2.gz ZNBUBZCDHMLRQB-UHFFFAOYSA-N 2 2 391.531 4.399 20 0 GIADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3(c4c(F)cccc4F)CCC3)sc2C1 ZINC000414512151 823998751 /nfs/dbraw/zinc/99/87/51/823998751.db2.gz ZNBUBZCDHMLRQB-UHFFFAOYSA-N 2 2 391.531 4.399 20 0 GIADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000414824205 824039453 /nfs/dbraw/zinc/03/94/53/824039453.db2.gz ALPMGRYJQZHMMA-NRFANRHFSA-N 2 2 378.520 4.103 20 0 GIADLP c1csc(C[N@@H+]2CCOC3(CCN(c4[nH+]ccc5ccccc54)CC3)C2)c1 ZINC001164695737 719887847 /nfs/dbraw/zinc/88/78/47/719887847.db2.gz UIBJYYCPOVMNII-UHFFFAOYSA-N 2 2 379.529 4.168 20 0 GIADLP c1csc(C[N@H+]2CCOC3(CCN(c4[nH+]ccc5ccccc54)CC3)C2)c1 ZINC001164695737 719887848 /nfs/dbraw/zinc/88/78/48/719887848.db2.gz UIBJYYCPOVMNII-UHFFFAOYSA-N 2 2 379.529 4.168 20 0 GIADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164838051 720541904 /nfs/dbraw/zinc/54/19/04/720541904.db2.gz NRBRDHILBLFUDO-MQSCRBSSSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164838051 720541911 /nfs/dbraw/zinc/54/19/11/720541911.db2.gz NRBRDHILBLFUDO-MQSCRBSSSA-N 2 2 389.547 4.118 20 0 GIADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001164839568 720726098 /nfs/dbraw/zinc/72/60/98/720726098.db2.gz MAKRYSGRRVANMH-NRFANRHFSA-N 2 2 377.532 4.219 20 0 GIADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(C3CC3)[nH+]1)CC2 ZINC001164839568 720726107 /nfs/dbraw/zinc/72/61/07/720726107.db2.gz MAKRYSGRRVANMH-NRFANRHFSA-N 2 2 377.532 4.219 20 0 GIADLP COCc1cc[nH+]c(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1 ZINC001164759898 721043086 /nfs/dbraw/zinc/04/30/86/721043086.db2.gz RNIOXIYVYZFLNW-UHFFFAOYSA-N 2 2 379.548 4.419 20 0 GIADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000121246871 823146929 /nfs/dbraw/zinc/14/69/29/823146929.db2.gz DVHRIJOSDSZDSS-HXUWFJFHSA-N 2 2 378.520 4.173 20 0 GIADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000121246871 823146930 /nfs/dbraw/zinc/14/69/30/823146930.db2.gz DVHRIJOSDSZDSS-HXUWFJFHSA-N 2 2 378.520 4.173 20 0 GIADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000121246871 823146931 /nfs/dbraw/zinc/14/69/31/823146931.db2.gz DVHRIJOSDSZDSS-HXUWFJFHSA-N 2 2 378.520 4.173 20 0 GIADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000121246871 823146932 /nfs/dbraw/zinc/14/69/32/823146932.db2.gz DVHRIJOSDSZDSS-HXUWFJFHSA-N 2 2 378.520 4.173 20 0 GIADLP C[N@H+](Cc1ccccc1NC(=O)NCCCCn1cc[nH+]c1)C1CCCCC1 ZINC000056550325 823167266 /nfs/dbraw/zinc/16/72/66/823167266.db2.gz FMWUUMPFINMCAZ-UHFFFAOYSA-N 2 2 383.540 4.250 20 0 GIADLP C[N@@H+](Cc1ccccc1NC(=O)NCCCCn1cc[nH+]c1)C1CCCCC1 ZINC000056550325 823167267 /nfs/dbraw/zinc/16/72/67/823167267.db2.gz FMWUUMPFINMCAZ-UHFFFAOYSA-N 2 2 383.540 4.250 20 0 GIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(O)c2Br)[C@@H]1c1cccs1 ZINC000459441447 823192720 /nfs/dbraw/zinc/19/27/20/823192720.db2.gz VZSLTQWYRVNUCI-KBXCAEBGSA-N 2 2 395.366 4.389 20 0 GIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(O)c2Br)[C@@H]1c1cccs1 ZINC000459441447 823192721 /nfs/dbraw/zinc/19/27/21/823192721.db2.gz VZSLTQWYRVNUCI-KBXCAEBGSA-N 2 2 395.366 4.389 20 0 GIADLP COCc1nc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000571845081 823244489 /nfs/dbraw/zinc/24/44/89/823244489.db2.gz UGWCLROFYUBZDD-HLAWJBBLSA-N 2 2 385.577 4.070 20 0 GIADLP COCc1nc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000571845081 823244494 /nfs/dbraw/zinc/24/44/94/823244494.db2.gz UGWCLROFYUBZDD-HLAWJBBLSA-N 2 2 385.577 4.070 20 0 GIADLP Cc1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000572090099 823281882 /nfs/dbraw/zinc/28/18/82/823281882.db2.gz SQEDUFGAFVHBGD-MGPUTAFESA-N 2 2 388.353 4.153 20 0 GIADLP Cc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000572090099 823281883 /nfs/dbraw/zinc/28/18/83/823281883.db2.gz SQEDUFGAFVHBGD-MGPUTAFESA-N 2 2 388.353 4.153 20 0 GIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N(C)[C@@H](C)c3ccccc3)C2)s1 ZINC000572124693 823286812 /nfs/dbraw/zinc/28/68/12/823286812.db2.gz ASYMGJPCCGXXDV-VQTJNVASSA-N 2 2 399.604 4.030 20 0 GIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N(C)[C@@H](C)c3ccccc3)C2)s1 ZINC000572124693 823286815 /nfs/dbraw/zinc/28/68/15/823286815.db2.gz ASYMGJPCCGXXDV-VQTJNVASSA-N 2 2 399.604 4.030 20 0 GIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)[C@@H](C)c3ccccc3)C2)s1 ZINC000572124693 823286819 /nfs/dbraw/zinc/28/68/19/823286819.db2.gz ASYMGJPCCGXXDV-VQTJNVASSA-N 2 2 399.604 4.030 20 0 GIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)[C@@H](C)c3ccccc3)C2)s1 ZINC000572124693 823286825 /nfs/dbraw/zinc/28/68/25/823286825.db2.gz ASYMGJPCCGXXDV-VQTJNVASSA-N 2 2 399.604 4.030 20 0 GIADLP CC(C)c1nc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c2ccccn21 ZINC000572125660 823286873 /nfs/dbraw/zinc/28/68/73/823286873.db2.gz DVXHMOFIUWLWNK-UHFFFAOYSA-N 2 2 392.547 4.221 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000572326535 823321182 /nfs/dbraw/zinc/32/11/82/823321182.db2.gz XUBZBKLAMIJRLW-WWNPGLIZSA-N 2 2 391.559 4.084 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000572326535 823321188 /nfs/dbraw/zinc/32/11/88/823321188.db2.gz XUBZBKLAMIJRLW-WWNPGLIZSA-N 2 2 391.559 4.084 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000572326535 823321193 /nfs/dbraw/zinc/32/11/93/823321193.db2.gz XUBZBKLAMIJRLW-WWNPGLIZSA-N 2 2 391.559 4.084 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000572326535 823321197 /nfs/dbraw/zinc/32/11/97/823321197.db2.gz XUBZBKLAMIJRLW-WWNPGLIZSA-N 2 2 391.559 4.084 20 0 GIADLP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000057847167 823340911 /nfs/dbraw/zinc/34/09/11/823340911.db2.gz ZTIDCOBYFUHLFL-CQSZACIVSA-N 2 2 386.367 4.374 20 0 GIADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000572491958 823349051 /nfs/dbraw/zinc/34/90/51/823349051.db2.gz AFNNUIFOVJUEJB-NHCUHLMSSA-N 2 2 375.472 4.144 20 0 GIADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000572491959 823349146 /nfs/dbraw/zinc/34/91/46/823349146.db2.gz AFNNUIFOVJUEJB-RTWAWAEBSA-N 2 2 375.472 4.144 20 0 GIADLP Fc1cccc(-c2cnc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)o2)c1 ZINC000572530174 823355185 /nfs/dbraw/zinc/35/51/85/823355185.db2.gz MBCHVLSVJXXOIO-NHCUHLMSSA-N 2 2 391.490 4.435 20 0 GIADLP Fc1cccc(-c2cnc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)o2)c1 ZINC000572530174 823355190 /nfs/dbraw/zinc/35/51/90/823355190.db2.gz MBCHVLSVJXXOIO-NHCUHLMSSA-N 2 2 391.490 4.435 20 0 GIADLP Fc1cccc(-c2cnc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)o2)c1 ZINC000572530174 823355192 /nfs/dbraw/zinc/35/51/92/823355192.db2.gz MBCHVLSVJXXOIO-NHCUHLMSSA-N 2 2 391.490 4.435 20 0 GIADLP Fc1cccc(-c2cnc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)o2)c1 ZINC000572530174 823355198 /nfs/dbraw/zinc/35/51/98/823355198.db2.gz MBCHVLSVJXXOIO-NHCUHLMSSA-N 2 2 391.490 4.435 20 0 GIADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)CC3 ZINC000123081615 823458952 /nfs/dbraw/zinc/45/89/52/823458952.db2.gz RSEZJLYBPBSLTN-LJQANCHMSA-N 2 2 386.499 4.068 20 0 GIADLP CC1CC[NH+]([C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c2cccs2)CC1 ZINC000029434413 820454473 /nfs/dbraw/zinc/45/44/73/820454473.db2.gz JJXLMKWETKDGIX-FQEVSTJZSA-N 2 2 394.544 4.137 20 0 GIADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000573366327 823485046 /nfs/dbraw/zinc/48/50/46/823485046.db2.gz NPHQLGDIYAGTOF-UHFFFAOYSA-N 2 2 380.532 4.428 20 0 GIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000573366327 823485050 /nfs/dbraw/zinc/48/50/50/823485050.db2.gz NPHQLGDIYAGTOF-UHFFFAOYSA-N 2 2 380.532 4.428 20 0 GIADLP Clc1ccccc1Cn1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000030652132 820658384 /nfs/dbraw/zinc/65/83/84/820658384.db2.gz DESOBBQZMQLDFY-UHFFFAOYSA-N 2 2 391.906 4.119 20 0 GIADLP CCOc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc(Cl)c1OC ZINC000030651775 820658590 /nfs/dbraw/zinc/65/85/90/820658590.db2.gz BEJKWRLHSXQFOA-UHFFFAOYSA-N 2 2 385.895 4.282 20 0 GIADLP CC(=O)N(c1nc(C[NH2+]CCCNc2cccc[nH+]2)cs1)c1ccc(C)cc1 ZINC000177589344 823497235 /nfs/dbraw/zinc/49/72/35/823497235.db2.gz JPQJSMUZHNFMRT-UHFFFAOYSA-N 2 2 395.532 4.123 20 0 GIADLP C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911374 823512745 /nfs/dbraw/zinc/51/27/45/823512745.db2.gz LHWQNSJQXLENRU-AUUYWEPGSA-N 2 2 386.293 4.019 20 0 GIADLP C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180690281 821396689 /nfs/dbraw/zinc/39/66/89/821396689.db2.gz YRKILQSZXVQXJH-AUUYWEPGSA-N 2 2 375.394 4.275 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)on1 ZINC000181119340 821645038 /nfs/dbraw/zinc/64/50/38/821645038.db2.gz HAGJFTGOSQCXGV-KRWDZBQOSA-N 2 2 379.504 4.277 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)on1 ZINC000181119340 821645043 /nfs/dbraw/zinc/64/50/43/821645043.db2.gz HAGJFTGOSQCXGV-KRWDZBQOSA-N 2 2 379.504 4.277 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)on1 ZINC000181119340 821645048 /nfs/dbraw/zinc/64/50/48/821645048.db2.gz HAGJFTGOSQCXGV-KRWDZBQOSA-N 2 2 379.504 4.277 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)on1 ZINC000181119340 821645051 /nfs/dbraw/zinc/64/50/51/821645051.db2.gz HAGJFTGOSQCXGV-KRWDZBQOSA-N 2 2 379.504 4.277 20 0 GIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000181204665 821695657 /nfs/dbraw/zinc/69/56/57/821695657.db2.gz NMZMGMMPRFONMX-SFHVURJKSA-N 2 2 398.620 4.010 20 0 GIADLP Cc1sc(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)nc1-c1ccccc1 ZINC000181307498 821747161 /nfs/dbraw/zinc/74/71/61/821747161.db2.gz BVOBXNAEFCIIOM-UHFFFAOYSA-N 2 2 392.572 4.310 20 0 GIADLP C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181394847 821805344 /nfs/dbraw/zinc/80/53/44/821805344.db2.gz IMDOYBBAYFFRSZ-KUHUBIRLSA-N 2 2 386.293 4.019 20 0 GIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000181586137 821891334 /nfs/dbraw/zinc/89/13/34/821891334.db2.gz BOZCJSBBWQSLJK-WOJBJXKFSA-N 2 2 389.547 4.203 20 0 GIADLP C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177976874 822266491 /nfs/dbraw/zinc/26/64/91/822266491.db2.gz ISOCVWBHPPIDCI-QZTJIDSGSA-N 2 2 384.524 4.170 20 0 GIADLP O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182888098 822386587 /nfs/dbraw/zinc/38/65/87/822386587.db2.gz MPRXYJPGPKFYGR-QGZVFWFLSA-N 2 2 381.307 4.073 20 0 GIADLP O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182888098 822386592 /nfs/dbraw/zinc/38/65/92/822386592.db2.gz MPRXYJPGPKFYGR-QGZVFWFLSA-N 2 2 381.307 4.073 20 0 GIADLP OC1CC[NH+](CCC[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000178522775 822387633 /nfs/dbraw/zinc/38/76/33/822387633.db2.gz FWGBHJDLGCSWBS-JOCHJYFZSA-N 2 2 390.930 4.199 20 0 GIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2sc(C)cc2Br)[C@@H](C)C1 ZINC000453592369 822390168 /nfs/dbraw/zinc/39/01/68/822390168.db2.gz RCXIXUNJVHOZKS-BBRMVZONSA-N 2 2 389.403 4.046 20 0 GIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2sc(C)cc2Br)[C@@H](C)C1 ZINC000453592369 822390172 /nfs/dbraw/zinc/39/01/72/822390172.db2.gz RCXIXUNJVHOZKS-BBRMVZONSA-N 2 2 389.403 4.046 20 0 GIADLP C[C@H](C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000179000589 822428452 /nfs/dbraw/zinc/42/84/52/822428452.db2.gz VKUQJACLCXPNSM-LLVKDONJSA-N 2 2 376.220 4.090 20 0 GIADLP C[NH+](C)CCOc1ccccc1C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183526622 822490019 /nfs/dbraw/zinc/49/00/19/822490019.db2.gz JFFFNKXQDBTPLP-HSZRJFAPSA-N 2 2 379.479 4.040 20 0 GIADLP Cn1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(-c2cccs2)n1 ZINC000180064638 822607345 /nfs/dbraw/zinc/60/73/45/822607345.db2.gz RULUZZCUIIEDIR-UHFFFAOYSA-N 2 2 380.561 4.245 20 0 GIADLP Cn1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(-c2cccs2)n1 ZINC000180064638 822607346 /nfs/dbraw/zinc/60/73/46/822607346.db2.gz RULUZZCUIIEDIR-UHFFFAOYSA-N 2 2 380.561 4.245 20 0 GIADLP CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000455468102 822660322 /nfs/dbraw/zinc/66/03/22/822660322.db2.gz GXIQNIUSEHOUEL-UHFFFAOYSA-N 2 2 384.524 4.049 20 0 GIADLP C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000455915552 822748545 /nfs/dbraw/zinc/74/85/45/822748545.db2.gz KERWJLPZVACDBM-ZHRRBRCNSA-N 2 2 389.503 4.304 20 0 GIADLP COc1ccc(C[C@@H](C)C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1F ZINC000185242678 822753940 /nfs/dbraw/zinc/75/39/40/822753940.db2.gz BGRSQQJLQKNYLQ-LJQANCHMSA-N 2 2 399.554 4.047 20 0 GIADLP COc1ccc(C[C@@H](C)C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1F ZINC000185242678 822753942 /nfs/dbraw/zinc/75/39/42/822753942.db2.gz BGRSQQJLQKNYLQ-LJQANCHMSA-N 2 2 399.554 4.047 20 0 GIADLP CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392276 822782959 /nfs/dbraw/zinc/78/29/59/822782959.db2.gz GXOWXPUTHGEXBF-UHFFFAOYSA-N 2 2 392.551 4.146 20 0 GIADLP CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392276 822782961 /nfs/dbraw/zinc/78/29/61/822782961.db2.gz GXOWXPUTHGEXBF-UHFFFAOYSA-N 2 2 392.551 4.146 20 0 GIADLP C[N@H+](CC1CCC(C(F)(F)F)CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000185505363 822791588 /nfs/dbraw/zinc/79/15/88/822791588.db2.gz VRHOBQKJXMKJKP-UHFFFAOYSA-N 2 2 383.502 4.389 20 0 GIADLP C[N@@H+](CC1CCC(C(F)(F)F)CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000185505363 822791589 /nfs/dbraw/zinc/79/15/89/822791589.db2.gz VRHOBQKJXMKJKP-UHFFFAOYSA-N 2 2 383.502 4.389 20 0 GIADLP C[N@H+](Cc1ccc(Cl)c2cccnc12)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655112 822818620 /nfs/dbraw/zinc/81/86/20/822818620.db2.gz HCYSAEWBXUQMIR-UHFFFAOYSA-N 2 2 394.950 4.422 20 0 GIADLP C[N@@H+](Cc1ccc(Cl)c2cccnc12)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655112 822818624 /nfs/dbraw/zinc/81/86/24/822818624.db2.gz HCYSAEWBXUQMIR-UHFFFAOYSA-N 2 2 394.950 4.422 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000569054336 822874529 /nfs/dbraw/zinc/87/45/29/822874529.db2.gz HPBHXVRFGGVWRV-COPCDDAFSA-N 2 2 388.515 4.252 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000569054336 822874534 /nfs/dbraw/zinc/87/45/34/822874534.db2.gz HPBHXVRFGGVWRV-COPCDDAFSA-N 2 2 388.515 4.252 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569054336 822874539 /nfs/dbraw/zinc/87/45/39/822874539.db2.gz HPBHXVRFGGVWRV-COPCDDAFSA-N 2 2 388.515 4.252 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569054336 822874545 /nfs/dbraw/zinc/87/45/45/822874545.db2.gz HPBHXVRFGGVWRV-COPCDDAFSA-N 2 2 388.515 4.252 20 0 GIADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1)C[C@H]1CCCCO1 ZINC000569705986 822957159 /nfs/dbraw/zinc/95/71/59/822957159.db2.gz CMLWLKVWHRJOTG-PGRDOPGGSA-N 2 2 398.551 4.007 20 0 GIADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1)C[C@H]1CCCCO1 ZINC000569705986 822957160 /nfs/dbraw/zinc/95/71/60/822957160.db2.gz CMLWLKVWHRJOTG-PGRDOPGGSA-N 2 2 398.551 4.007 20 0 GIADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1)C[C@H]1CCCCO1 ZINC000569705986 822957164 /nfs/dbraw/zinc/95/71/64/822957164.db2.gz CMLWLKVWHRJOTG-PGRDOPGGSA-N 2 2 398.551 4.007 20 0 GIADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1)C[C@H]1CCCCO1 ZINC000569705986 822957168 /nfs/dbraw/zinc/95/71/68/822957168.db2.gz CMLWLKVWHRJOTG-PGRDOPGGSA-N 2 2 398.551 4.007 20 0 GIADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000569973209 822991860 /nfs/dbraw/zinc/99/18/60/822991860.db2.gz AERQWQMOVCCUHA-IBGZPJMESA-N 2 2 387.462 4.049 20 0 GIADLP COc1c(Br)cccc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000187271962 823034425 /nfs/dbraw/zinc/03/44/25/823034425.db2.gz AYUAPOILOHMUCU-AWEZNQCLSA-N 2 2 386.293 4.494 20 0 GIADLP COc1cc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)ccc1OC(F)F ZINC000177933682 823547928 /nfs/dbraw/zinc/54/79/28/823547928.db2.gz VYCRCZRYLLOHPF-HNNXBMFYSA-N 2 2 387.430 4.392 20 0 GIADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1nnc(-c3ccc(Cl)cc3Cl)o1)C2 ZINC000124034379 823561546 /nfs/dbraw/zinc/56/15/46/823561546.db2.gz YAKFSZRRIDUZOP-DGCLKSJQSA-N 2 2 392.290 4.214 20 0 GIADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000411302551 823563446 /nfs/dbraw/zinc/56/34/46/823563446.db2.gz FWNJHZQVYCSCNV-NLPWIYRPSA-N 4 2 394.692 4.012 20 0 GIADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000411302551 823563449 /nfs/dbraw/zinc/56/34/49/823563449.db2.gz FWNJHZQVYCSCNV-NLPWIYRPSA-N 4 2 394.692 4.012 20 0 GIADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000411302551 823563453 /nfs/dbraw/zinc/56/34/53/823563453.db2.gz FWNJHZQVYCSCNV-NLPWIYRPSA-N 4 2 394.692 4.012 20 0 GIADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000411302551 823563457 /nfs/dbraw/zinc/56/34/57/823563457.db2.gz FWNJHZQVYCSCNV-NLPWIYRPSA-N 4 2 394.692 4.012 20 0 GIADLP CCC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000061016525 823573076 /nfs/dbraw/zinc/57/30/76/823573076.db2.gz HMCYSZVKTCUQKI-UHFFFAOYSA-N 2 2 377.273 4.015 20 0 GIADLP C[C@@H](c1nccs1)N1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411549761 823587566 /nfs/dbraw/zinc/58/75/66/823587566.db2.gz HTHAASNSMLQNIM-IBGZPJMESA-N 2 2 384.593 4.008 20 0 GIADLP CN(C(=O)c1cc2ccccc2s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124550205 823605738 /nfs/dbraw/zinc/60/57/38/823605738.db2.gz IWIXGFYFKDAZPI-PMACEKPBSA-N 2 2 399.604 4.311 20 0 GIADLP CN(C(=O)c1cc2ccccc2s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124550205 823605740 /nfs/dbraw/zinc/60/57/40/823605740.db2.gz IWIXGFYFKDAZPI-PMACEKPBSA-N 2 2 399.604 4.311 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(Br)c(Cl)s2)cn1 ZINC000190802329 823610691 /nfs/dbraw/zinc/61/06/91/823610691.db2.gz SOHWDKDOHOAGBL-UHFFFAOYSA-N 2 2 397.729 4.343 20 0 GIADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124669184 823615791 /nfs/dbraw/zinc/61/57/91/823615791.db2.gz BRWKZKRWWSFGJA-PKTZIBPZSA-N 2 2 385.596 4.219 20 0 GIADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124669184 823615792 /nfs/dbraw/zinc/61/57/92/823615792.db2.gz BRWKZKRWWSFGJA-PKTZIBPZSA-N 2 2 385.596 4.219 20 0 GIADLP Cc1c([C@@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cnn1C(C)C ZINC000191187947 823657631 /nfs/dbraw/zinc/65/76/31/823657631.db2.gz GPSYULKDOKHDDZ-OAQYLSRUSA-N 2 2 397.611 4.021 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000191501901 823692330 /nfs/dbraw/zinc/69/23/30/823692330.db2.gz MDQFKXOVJALEIC-UHFFFAOYSA-N 2 2 399.564 4.348 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000191501901 823692332 /nfs/dbraw/zinc/69/23/32/823692332.db2.gz MDQFKXOVJALEIC-UHFFFAOYSA-N 2 2 399.564 4.348 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000191505359 823692873 /nfs/dbraw/zinc/69/28/73/823692873.db2.gz NWAZBPCHQDIOFV-UHFFFAOYSA-N 2 2 384.549 4.490 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000191505359 823692874 /nfs/dbraw/zinc/69/28/74/823692874.db2.gz NWAZBPCHQDIOFV-UHFFFAOYSA-N 2 2 384.549 4.490 20 0 GIADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCCO2 ZINC000163743193 823744495 /nfs/dbraw/zinc/74/44/95/823744495.db2.gz ZMCPOSXNHPNPJE-QHCPKHFHSA-N 2 2 380.532 4.139 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(-c2ccncc2)c1 ZINC000163761232 823746013 /nfs/dbraw/zinc/74/60/13/823746013.db2.gz OPOKWDAPUCLQRY-HXUWFJFHSA-N 2 2 387.527 4.432 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2Br)cn1 ZINC000126350839 823846379 /nfs/dbraw/zinc/84/63/79/823846379.db2.gz FQTBHUJGNFEHSF-LBPRGKRZSA-N 2 2 389.272 4.328 20 0 GIADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165561932 823853827 /nfs/dbraw/zinc/85/38/27/823853827.db2.gz WAUMJAWNJRGPNS-OHUGHZGNSA-N 3 2 388.559 4.417 20 0 GIADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165561932 823853835 /nfs/dbraw/zinc/85/38/35/823853835.db2.gz WAUMJAWNJRGPNS-OHUGHZGNSA-N 3 2 388.559 4.417 20 0 GIADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166211862 823872683 /nfs/dbraw/zinc/87/26/83/823872683.db2.gz LDAGCCPVAVBXKY-VQTJNVASSA-N 2 2 381.520 4.379 20 0 GIADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166211862 823872696 /nfs/dbraw/zinc/87/26/96/823872696.db2.gz LDAGCCPVAVBXKY-VQTJNVASSA-N 2 2 381.520 4.379 20 0 GIADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167848284 823896903 /nfs/dbraw/zinc/89/69/03/823896903.db2.gz OIFHDCVDWVFHIA-HOTGVXAUSA-N 2 2 388.943 4.171 20 0 GIADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccnc1Cl ZINC000126693416 823928746 /nfs/dbraw/zinc/92/87/46/823928746.db2.gz SVKALAYZBPJSFC-CABCVRRESA-N 2 2 376.907 4.038 20 0 GIADLP CC[N@@H+]1CCC[C@H]1CN(Cc1c[nH+]c(C)n1-c1ccccc1)Cc1ccncc1 ZINC000575218614 823942863 /nfs/dbraw/zinc/94/28/63/823942863.db2.gz HICPUTLHQFDLRH-QHCPKHFHSA-N 2 2 389.547 4.062 20 0 GIADLP CC[N@H+]1CCC[C@H]1CN(Cc1c[nH+]c(C)n1-c1ccccc1)Cc1ccncc1 ZINC000575218614 823942869 /nfs/dbraw/zinc/94/28/69/823942869.db2.gz HICPUTLHQFDLRH-QHCPKHFHSA-N 2 2 389.547 4.062 20 0 GIADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311330 823951816 /nfs/dbraw/zinc/95/18/16/823951816.db2.gz BFMXEUMIIYQNQR-LEWJYISDSA-N 2 2 393.579 4.242 20 0 GIADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311330 823951828 /nfs/dbraw/zinc/95/18/28/823951828.db2.gz BFMXEUMIIYQNQR-LEWJYISDSA-N 2 2 393.579 4.242 20 0 GIADLP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355555 823963978 /nfs/dbraw/zinc/96/39/78/823963978.db2.gz AHVVQBZATAWQON-FXAWDEMLSA-N 2 2 392.469 4.231 20 0 GIADLP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355555 823963988 /nfs/dbraw/zinc/96/39/88/823963988.db2.gz AHVVQBZATAWQON-FXAWDEMLSA-N 2 2 392.469 4.231 20 0 GIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000414850546 824041651 /nfs/dbraw/zinc/04/16/51/824041651.db2.gz SNKVHPNCFJDJER-QFIPXVFZSA-N 2 2 399.966 4.358 20 0 GIADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414936800 824051986 /nfs/dbraw/zinc/05/19/86/824051986.db2.gz HAMFSUJETSMXDQ-UZUQRXQVSA-N 2 2 375.516 4.409 20 0 GIADLP Cc1cccc2c1cc[nH+]c2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697724 719892653 /nfs/dbraw/zinc/89/26/53/719892653.db2.gz OKOBFEHKZCTQCU-UHFFFAOYSA-N 2 2 393.556 4.476 20 0 GIADLP Cc1cccc2c1cc[nH+]c2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697724 719892656 /nfs/dbraw/zinc/89/26/56/719892656.db2.gz OKOBFEHKZCTQCU-UHFFFAOYSA-N 2 2 393.556 4.476 20 0 GIADLP Cc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(C(C)C)[nH+]1 ZINC001164837647 720712239 /nfs/dbraw/zinc/71/22/39/720712239.db2.gz FNWFDQIJLVGZCN-NRFANRHFSA-N 2 2 394.563 4.168 20 0 GIADLP Cc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(C(C)C)[nH+]1 ZINC001164837647 720712243 /nfs/dbraw/zinc/71/22/43/720712243.db2.gz FNWFDQIJLVGZCN-NRFANRHFSA-N 2 2 394.563 4.168 20 0 GIADLP CCSc1cc[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164842315 720725078 /nfs/dbraw/zinc/72/50/78/720725078.db2.gz YDYAZSFLVGYTMC-HXUWFJFHSA-N 2 2 397.588 4.454 20 0 GIADLP CCSc1cc[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164842315 720725088 /nfs/dbraw/zinc/72/50/88/720725088.db2.gz YDYAZSFLVGYTMC-HXUWFJFHSA-N 2 2 397.588 4.454 20 0 GIADLP Cc1cc2ccccc2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)[nH+]1 ZINC001164903019 721545019 /nfs/dbraw/zinc/54/50/19/721545019.db2.gz BVBXAVPINILQOZ-PZJWPPBQSA-N 2 2 377.463 4.024 20 0 GIADLP Cc1cc2ccccc2c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)[nH+]1 ZINC001164903019 721545022 /nfs/dbraw/zinc/54/50/22/721545022.db2.gz BVBXAVPINILQOZ-PZJWPPBQSA-N 2 2 377.463 4.024 20 0 GIADLP Cc1cc2ccccc2c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)[nH+]1 ZINC001164903018 721545567 /nfs/dbraw/zinc/54/55/67/721545567.db2.gz BVBXAVPINILQOZ-FPOVZHCZSA-N 2 2 377.463 4.024 20 0 GIADLP Cc1cc2ccccc2c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)[nH+]1 ZINC001164903018 721545568 /nfs/dbraw/zinc/54/55/68/721545568.db2.gz BVBXAVPINILQOZ-FPOVZHCZSA-N 2 2 377.463 4.024 20 0 GIADLP Cc1cc(C)c(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(C)c1 ZINC000570927180 823108346 /nfs/dbraw/zinc/10/83/46/823108346.db2.gz SGWUMENYGCJNIF-QFIPXVFZSA-N 2 2 391.559 4.337 20 0 GIADLP Cc1cc(C)c(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(C)c1 ZINC000570927180 823108348 /nfs/dbraw/zinc/10/83/48/823108348.db2.gz SGWUMENYGCJNIF-QFIPXVFZSA-N 2 2 391.559 4.337 20 0 GIADLP Brc1cccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000571051331 823125251 /nfs/dbraw/zinc/12/52/51/823125251.db2.gz ZOBGPJMGHLPHRX-NVXWUHKLSA-N 2 2 390.325 4.068 20 0 GIADLP Brc1cccc(-c2cnc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000571051331 823125254 /nfs/dbraw/zinc/12/52/54/823125254.db2.gz ZOBGPJMGHLPHRX-NVXWUHKLSA-N 2 2 390.325 4.068 20 0 GIADLP COc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccsc3)CC2)cc(OC)c1OC ZINC000121278028 823153348 /nfs/dbraw/zinc/15/33/48/823153348.db2.gz VIOOORFQYYQRAT-HNNXBMFYSA-N 2 2 390.549 4.089 20 0 GIADLP CCOc1cc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc(Cl)c1O ZINC000459326822 823161773 /nfs/dbraw/zinc/16/17/73/823161773.db2.gz NMNSUGQLOSJHSZ-OAHLLOKOSA-N 2 2 375.900 4.082 20 0 GIADLP CCOc1cc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc(Cl)c1O ZINC000459326822 823161774 /nfs/dbraw/zinc/16/17/74/823161774.db2.gz NMNSUGQLOSJHSZ-OAHLLOKOSA-N 2 2 375.900 4.082 20 0 GIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)CC1 ZINC000187987171 823167734 /nfs/dbraw/zinc/16/77/34/823167734.db2.gz QTQAJIKHWGUSQS-JOCHJYFZSA-N 2 2 379.548 4.089 20 0 GIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3CC(C)(c4ccccc4)C3)CC2)cc1 ZINC000459568883 823222424 /nfs/dbraw/zinc/22/24/24/823222424.db2.gz CAXIHVKWDIWCFN-UHFFFAOYSA-N 2 2 391.559 4.319 20 0 GIADLP C[N@@H+]1CCCC12CCN(c1cc[nH+]c3c(Br)ccc(F)c13)CC2 ZINC000409723406 823290864 /nfs/dbraw/zinc/29/08/64/823290864.db2.gz SAUUPZJHHFRSNO-UHFFFAOYSA-N 2 2 378.289 4.201 20 0 GIADLP C[N@H+]1CCCC12CCN(c1cc[nH+]c3c(Br)ccc(F)c13)CC2 ZINC000409723406 823290867 /nfs/dbraw/zinc/29/08/67/823290867.db2.gz SAUUPZJHHFRSNO-UHFFFAOYSA-N 2 2 378.289 4.201 20 0 GIADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000122343371 823341225 /nfs/dbraw/zinc/34/12/25/823341225.db2.gz YRSUEOKXHXZSGB-LJQANCHMSA-N 2 2 389.547 4.258 20 0 GIADLP C[NH+](C)[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521293 823353436 /nfs/dbraw/zinc/35/34/36/823353436.db2.gz CLVDYUCEYIEBAI-GOTSBHOMSA-N 2 2 381.539 4.215 20 0 GIADLP C[NH+](C)[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521293 823353441 /nfs/dbraw/zinc/35/34/41/823353441.db2.gz CLVDYUCEYIEBAI-GOTSBHOMSA-N 2 2 381.539 4.215 20 0 GIADLP CN(C)[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521293 823353447 /nfs/dbraw/zinc/35/34/47/823353447.db2.gz CLVDYUCEYIEBAI-GOTSBHOMSA-N 2 2 381.539 4.215 20 0 GIADLP CN(C)[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521293 823353453 /nfs/dbraw/zinc/35/34/53/823353453.db2.gz CLVDYUCEYIEBAI-GOTSBHOMSA-N 2 2 381.539 4.215 20 0 GIADLP CN(C(=O)Nc1ccsc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000189300202 823389980 /nfs/dbraw/zinc/38/99/80/823389980.db2.gz LSFWEZALVMRCBX-SJORKVTESA-N 2 2 399.004 4.202 20 0 GIADLP CN(C(=O)Nc1ccsc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189300202 823389983 /nfs/dbraw/zinc/38/99/83/823389983.db2.gz LSFWEZALVMRCBX-SJORKVTESA-N 2 2 399.004 4.202 20 0 GIADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2Cc3ccccc32)o1 ZINC000572886927 823414087 /nfs/dbraw/zinc/41/40/87/823414087.db2.gz FNUKVHQXKOHNFL-INIZCTEOSA-N 2 2 386.293 4.081 20 0 GIADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2Cc3ccccc32)o1 ZINC000572886927 823414089 /nfs/dbraw/zinc/41/40/89/823414089.db2.gz FNUKVHQXKOHNFL-INIZCTEOSA-N 2 2 386.293 4.081 20 0 GIADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@H]2Cc3ccccc32)o1 ZINC000572886928 823414067 /nfs/dbraw/zinc/41/40/67/823414067.db2.gz FNUKVHQXKOHNFL-MRXNPFEDSA-N 2 2 386.293 4.081 20 0 GIADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@H]2Cc3ccccc32)o1 ZINC000572886928 823414069 /nfs/dbraw/zinc/41/40/69/823414069.db2.gz FNUKVHQXKOHNFL-MRXNPFEDSA-N 2 2 386.293 4.081 20 0 GIADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177489041 823474350 /nfs/dbraw/zinc/47/43/50/823474350.db2.gz CVDRZYNDWOOHSV-OALUTQOASA-N 2 2 389.584 4.006 20 0 GIADLP O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000059387117 823494590 /nfs/dbraw/zinc/49/45/90/823494590.db2.gz WFZOXNYODZSPEP-UHFFFAOYSA-N 2 2 377.532 4.389 20 0 GIADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)o1 ZINC000041816058 821233408 /nfs/dbraw/zinc/23/34/08/821233408.db2.gz DXLXKDKJXLHIGV-UHFFFAOYSA-N 2 2 390.553 4.062 20 0 GIADLP COc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc2)cc1Br ZINC000180859731 821498351 /nfs/dbraw/zinc/49/83/51/821498351.db2.gz TXAYJBBBYKIGHG-HXUWFJFHSA-N 2 2 389.337 4.231 20 0 GIADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c2ccccc2)cc1 ZINC000180960293 821557311 /nfs/dbraw/zinc/55/73/11/821557311.db2.gz QKTVQMHAYLDSGA-CCDWMCETSA-N 2 2 394.559 4.142 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ccc1F ZINC000181413187 821812503 /nfs/dbraw/zinc/81/25/03/821812503.db2.gz CXVBCDAOCIKDJO-AGRHKRQWSA-N 2 2 399.348 4.007 20 0 GIADLP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1OC ZINC000181593734 821894509 /nfs/dbraw/zinc/89/45/09/821894509.db2.gz HCCNQYKUMHQXGB-ZWKOTPCHSA-N 2 2 383.536 4.283 20 0 GIADLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)c3cc4ccccc4s3)CC2)cc1 ZINC000181892165 822028906 /nfs/dbraw/zinc/02/89/06/822028906.db2.gz BNGZIKQWKSDAFT-NRFANRHFSA-N 2 2 391.540 4.061 20 0 GIADLP CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182093494 822091338 /nfs/dbraw/zinc/09/13/38/822091338.db2.gz HALBIJAUFQGQIA-INIZCTEOSA-N 2 2 391.943 4.326 20 0 GIADLP CCCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182093494 822091345 /nfs/dbraw/zinc/09/13/45/822091345.db2.gz HALBIJAUFQGQIA-INIZCTEOSA-N 2 2 391.943 4.326 20 0 GIADLP CCOc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCO2 ZINC000177969004 822262152 /nfs/dbraw/zinc/26/21/52/822262152.db2.gz GKZXVHMWULZUQS-QHCPKHFHSA-N 2 2 380.532 4.206 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2F)cn1 ZINC000178412811 822377040 /nfs/dbraw/zinc/37/70/40/822377040.db2.gz QBNLBXSNNZTTAH-LBPRGKRZSA-N 2 2 389.272 4.328 20 0 GIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCC3)sc2C1 ZINC000453597033 822390870 /nfs/dbraw/zinc/39/08/70/822390870.db2.gz BCYYQKGJHJBCFQ-QFIPXVFZSA-N 2 2 399.604 4.293 20 0 GIADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCC3)sc2C1 ZINC000453597033 822390874 /nfs/dbraw/zinc/39/08/74/822390874.db2.gz BCYYQKGJHJBCFQ-QFIPXVFZSA-N 2 2 399.604 4.293 20 0 GIADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nnn1-c1ccc(F)cc1 ZINC000183194001 822439433 /nfs/dbraw/zinc/43/94/33/822439433.db2.gz KMSZGTJGZTWIIU-SOLBZPMBSA-N 2 2 385.531 4.018 20 0 GIADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nnn1-c1ccc(F)cc1 ZINC000183194001 822439434 /nfs/dbraw/zinc/43/94/34/822439434.db2.gz KMSZGTJGZTWIIU-SOLBZPMBSA-N 2 2 385.531 4.018 20 0 GIADLP CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000179775623 822550468 /nfs/dbraw/zinc/55/04/68/822550468.db2.gz VFXIJOLDYQUQFS-IBGZPJMESA-N 2 2 375.520 4.187 20 0 GIADLP CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c2ccc(F)cc2C1 ZINC000184511242 822648135 /nfs/dbraw/zinc/64/81/35/822648135.db2.gz SZALXXBPCHQRAG-HJPURHCSSA-N 2 2 392.478 4.156 20 0 GIADLP O[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(-c2ccccc2)cc1 ZINC000184586966 822661948 /nfs/dbraw/zinc/66/19/48/822661948.db2.gz FJAZSCNSYBYNTB-OAQYLSRUSA-N 2 2 392.465 4.393 20 0 GIADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455479350 822662414 /nfs/dbraw/zinc/66/24/14/822662414.db2.gz GKHMOBPJQWLIIJ-NRFANRHFSA-N 2 2 380.536 4.383 20 0 GIADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455479350 822662417 /nfs/dbraw/zinc/66/24/17/822662417.db2.gz GKHMOBPJQWLIIJ-NRFANRHFSA-N 2 2 380.536 4.383 20 0 GIADLP Fc1ccc(-c2ccc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)o2)cc1 ZINC000048745595 822680762 /nfs/dbraw/zinc/68/07/62/822680762.db2.gz BTOXAVHOBKJFDI-UHFFFAOYSA-N 2 2 380.463 4.208 20 0 GIADLP Cc1cnc([C@@H]([NH2+]CCC[NH2+][C@H](c2ncc(C)s2)C2CC2)C2CC2)s1 ZINC000185362521 822771986 /nfs/dbraw/zinc/77/19/86/822771986.db2.gz OEJQUAMZYONPRV-IRXDYDNUSA-N 2 2 376.595 4.388 20 0 GIADLP C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185699543 822811440 /nfs/dbraw/zinc/81/14/40/822811440.db2.gz NIWIGURLXJYGET-RBUKOAKNSA-N 2 2 378.564 4.104 20 0 GIADLP C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185699543 822811443 /nfs/dbraw/zinc/81/14/43/822811443.db2.gz NIWIGURLXJYGET-RBUKOAKNSA-N 2 2 378.564 4.104 20 0 GIADLP C[C@@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185715455 822813622 /nfs/dbraw/zinc/81/36/22/822813622.db2.gz BUUPJQHFPXXEPE-MSOLQXFVSA-N 2 2 396.554 4.243 20 0 GIADLP C[C@@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185715455 822813623 /nfs/dbraw/zinc/81/36/23/822813623.db2.gz BUUPJQHFPXXEPE-MSOLQXFVSA-N 2 2 396.554 4.243 20 0 GIADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000569052353 822874214 /nfs/dbraw/zinc/87/42/14/822874214.db2.gz KHLJAFWTPZKPCN-JOCHJYFZSA-N 2 2 384.593 4.087 20 0 GIADLP CCN(CC)c1ncc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000569052353 822874217 /nfs/dbraw/zinc/87/42/17/822874217.db2.gz KHLJAFWTPZKPCN-JOCHJYFZSA-N 2 2 384.593 4.087 20 0 GIADLP CCN(CC)c1ncc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC000569052353 822874218 /nfs/dbraw/zinc/87/42/18/822874218.db2.gz KHLJAFWTPZKPCN-JOCHJYFZSA-N 2 2 384.593 4.087 20 0 GIADLP CCN(CC)c1ncc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)s1 ZINC000569052353 822874220 /nfs/dbraw/zinc/87/42/20/822874220.db2.gz KHLJAFWTPZKPCN-JOCHJYFZSA-N 2 2 384.593 4.087 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186843732 822966191 /nfs/dbraw/zinc/96/61/91/822966191.db2.gz JCPHMPBGWNNJBL-UXPWSPDFSA-N 2 2 377.454 4.228 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186843732 822966194 /nfs/dbraw/zinc/96/61/94/822966194.db2.gz JCPHMPBGWNNJBL-UXPWSPDFSA-N 2 2 377.454 4.228 20 0 GIADLP CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000570128905 823008432 /nfs/dbraw/zinc/00/84/32/823008432.db2.gz QHVZEFQWZCNXOG-UHFFFAOYSA-N 2 2 377.488 4.177 20 0 GIADLP CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000570250285 823019130 /nfs/dbraw/zinc/01/91/30/823019130.db2.gz NSVFJJKPWOBVMB-OAQYLSRUSA-N 2 2 397.526 4.472 20 0 GIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000411434740 823573961 /nfs/dbraw/zinc/57/39/61/823573961.db2.gz ZJTHNJNVIKHATF-CQSZACIVSA-N 2 2 395.334 4.010 20 0 GIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000411434740 823573962 /nfs/dbraw/zinc/57/39/62/823573962.db2.gz ZJTHNJNVIKHATF-CQSZACIVSA-N 2 2 395.334 4.010 20 0 GIADLP CN(C(=O)c1csc2ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124558724 823606508 /nfs/dbraw/zinc/60/65/08/823606508.db2.gz SLTUQCHQALVYAH-RTWAWAEBSA-N 2 2 399.604 4.311 20 0 GIADLP CN(C(=O)c1csc2ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124558724 823606509 /nfs/dbraw/zinc/60/65/09/823606509.db2.gz SLTUQCHQALVYAH-RTWAWAEBSA-N 2 2 399.604 4.311 20 0 GIADLP C[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125646717 823693073 /nfs/dbraw/zinc/69/30/73/823693073.db2.gz PWJFFNZOTQJPDA-AUUYWEPGSA-N 2 2 391.393 4.155 20 0 GIADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccn3)C[C@@H]1C)CCS2 ZINC000191515623 823694243 /nfs/dbraw/zinc/69/42/43/823694243.db2.gz QJFNNYDWJCWIAN-ORYQWCPZSA-N 2 2 383.561 4.127 20 0 GIADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccn3)C[C@@H]1C)CCS2 ZINC000191515623 823694244 /nfs/dbraw/zinc/69/42/44/823694244.db2.gz QJFNNYDWJCWIAN-ORYQWCPZSA-N 2 2 383.561 4.127 20 0 GIADLP CSc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000574328555 823703347 /nfs/dbraw/zinc/70/33/47/823703347.db2.gz SAXBGRXUYXVPNQ-UHFFFAOYSA-N 3 2 381.655 4.098 20 0 GIADLP CSc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000574328555 823703352 /nfs/dbraw/zinc/70/33/52/823703352.db2.gz SAXBGRXUYXVPNQ-UHFFFAOYSA-N 3 2 381.655 4.098 20 0 GIADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1Cl ZINC000574428224 823726389 /nfs/dbraw/zinc/72/63/89/823726389.db2.gz YLOBNEXBHAINJM-KRWDZBQOSA-N 2 2 396.922 4.400 20 0 GIADLP CC(C)([NH3+])c1noc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCc3ccccc32)n1 ZINC000574573203 823770112 /nfs/dbraw/zinc/77/01/12/823770112.db2.gz YJPHFSPGXOLNIW-PZJWPPBQSA-N 2 2 376.504 4.214 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)cn1 ZINC000126098157 823786433 /nfs/dbraw/zinc/78/64/33/823786433.db2.gz RTGPXQAFQXIKBO-LBPRGKRZSA-N 2 2 389.272 4.328 20 0 GIADLP Clc1cc2c(cc1C[NH+]1CCC(CCCn3cc[nH+]c3)CC1)OCCO2 ZINC000574788909 823826400 /nfs/dbraw/zinc/82/64/00/823826400.db2.gz MALJTSQZEMRERB-UHFFFAOYSA-N 2 2 375.900 4.000 20 0 GIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CN1C1CC1 ZINC000165576411 823854318 /nfs/dbraw/zinc/85/43/18/823854318.db2.gz JKIHSAFYHPDJSF-WMZHIEFXSA-N 2 2 386.543 4.313 20 0 GIADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126413866 823860942 /nfs/dbraw/zinc/86/09/42/823860942.db2.gz JRZLZGGWHKVGFX-CQSZACIVSA-N 2 2 390.516 4.253 20 0 GIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166714387 823881821 /nfs/dbraw/zinc/88/18/21/823881821.db2.gz HDNRCOUAXJSNEC-NBGIEHNGSA-N 2 2 393.575 4.479 20 0 GIADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000574997667 823882745 /nfs/dbraw/zinc/88/27/45/823882745.db2.gz GVMKVBFAAXGRRC-HXUWFJFHSA-N 2 2 382.552 4.093 20 0 GIADLP CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3C)ccc2NC1=O ZINC000192159782 823885383 /nfs/dbraw/zinc/88/53/83/823885383.db2.gz LGWROGFYULNDSO-HRAATJIYSA-N 2 2 390.487 4.141 20 0 GIADLP Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC[C@H]2CCOC2)c1 ZINC000167200703 823888737 /nfs/dbraw/zinc/88/87/37/823888737.db2.gz QXSPCYLNTQLECJ-PMACEKPBSA-N 2 2 391.515 4.447 20 0 GIADLP Brc1cccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)c1 ZINC000414114246 823913041 /nfs/dbraw/zinc/91/30/41/823913041.db2.gz AIJPTEUHXFRNLK-XLIONFOSSA-N 2 2 382.305 4.409 20 0 GIADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000126690198 823927556 /nfs/dbraw/zinc/92/75/56/823927556.db2.gz BVJLCFCTWOVFJA-HUUCEWRRSA-N 2 2 377.454 4.268 20 0 GIADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414817117 824039200 /nfs/dbraw/zinc/03/92/00/824039200.db2.gz ZHQKFRXRFJJKHT-OAHLLOKOSA-N 2 2 385.474 4.325 20 0 GIADLP CC(=O)N(c1nc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cs1)c1ccc(C)cc1 ZINC000414816021 824039239 /nfs/dbraw/zinc/03/92/39/824039239.db2.gz YWWVVBOWIWEVFB-MRXNPFEDSA-N 2 2 394.544 4.446 20 0 GIADLP Cc1ccc2cc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164695295 719892212 /nfs/dbraw/zinc/89/22/12/719892212.db2.gz LYDWQDOJDPKYBU-UHFFFAOYSA-N 2 2 393.556 4.476 20 0 GIADLP Cc1ccc2cc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164695295 719892213 /nfs/dbraw/zinc/89/22/13/719892213.db2.gz LYDWQDOJDPKYBU-UHFFFAOYSA-N 2 2 393.556 4.476 20 0 GIADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164838053 720542498 /nfs/dbraw/zinc/54/24/98/720542498.db2.gz NRBRDHILBLFUDO-QZNHQXDQSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164838053 720542514 /nfs/dbraw/zinc/54/25/14/720542514.db2.gz NRBRDHILBLFUDO-QZNHQXDQSA-N 2 2 389.547 4.118 20 0 GIADLP COc1ccc2[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)cc(C)c2c1 ZINC001164859180 720963105 /nfs/dbraw/zinc/96/31/05/720963105.db2.gz KTPTUQJTVZKUHG-QGZVFWFLSA-N 2 2 393.535 4.170 20 0 GIADLP COc1ccc2[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)cc(C)c2c1 ZINC001164859180 720963113 /nfs/dbraw/zinc/96/31/13/720963113.db2.gz KTPTUQJTVZKUHG-QGZVFWFLSA-N 2 2 393.535 4.170 20 0 GIADLP COc1ccc2c(C)cc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)[nH+]c2c1 ZINC001164858927 720978255 /nfs/dbraw/zinc/97/82/55/720978255.db2.gz JIBGZZKZTJEVPF-QGZVFWFLSA-N 2 2 393.535 4.170 20 0 GIADLP COc1ccc2c(C)cc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)[nH+]c2c1 ZINC001164858927 720978260 /nfs/dbraw/zinc/97/82/60/720978260.db2.gz JIBGZZKZTJEVPF-QGZVFWFLSA-N 2 2 393.535 4.170 20 0 GIADLP CSCc1cc[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164796205 721503115 /nfs/dbraw/zinc/50/31/15/721503115.db2.gz PTAFPDPZWHMRQO-UHFFFAOYSA-N 2 2 382.577 4.221 20 0 GIADLP CSCc1cc[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164796205 721503120 /nfs/dbraw/zinc/50/31/20/721503120.db2.gz PTAFPDPZWHMRQO-UHFFFAOYSA-N 2 2 382.577 4.221 20 0 GIADLP CSCc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027010 721828809 /nfs/dbraw/zinc/82/88/09/721828809.db2.gz QSTZRGFWYFCULN-TYPHKJRUSA-N 2 2 382.577 4.077 20 0 GIADLP CSCc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027010 721828810 /nfs/dbraw/zinc/82/88/10/721828810.db2.gz QSTZRGFWYFCULN-TYPHKJRUSA-N 2 2 382.577 4.077 20 0 GIADLP CCSc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165021407 721829408 /nfs/dbraw/zinc/82/94/08/721829408.db2.gz FIFFIDWLQDWICF-YYWHXJBOSA-N 2 2 382.577 4.326 20 0 GIADLP CCSc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165021407 721829411 /nfs/dbraw/zinc/82/94/11/721829411.db2.gz FIFFIDWLQDWICF-YYWHXJBOSA-N 2 2 382.577 4.326 20 0 GIADLP CC(C)CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1 ZINC000570645073 823066116 /nfs/dbraw/zinc/06/61/16/823066116.db2.gz CLPODVRHEAEQTD-WVUPVLJSSA-N 2 2 385.596 4.227 20 0 GIADLP CC(C)CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1 ZINC000570645073 823066122 /nfs/dbraw/zinc/06/61/22/823066122.db2.gz CLPODVRHEAEQTD-WVUPVLJSSA-N 2 2 385.596 4.227 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)on1 ZINC000570812847 823090629 /nfs/dbraw/zinc/09/06/29/823090629.db2.gz KKDGWFYCKSIBEB-QGZVFWFLSA-N 2 2 388.471 4.226 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)on1 ZINC000570812847 823090634 /nfs/dbraw/zinc/09/06/34/823090634.db2.gz KKDGWFYCKSIBEB-QGZVFWFLSA-N 2 2 388.471 4.226 20 0 GIADLP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045963 823124448 /nfs/dbraw/zinc/12/44/48/823124448.db2.gz QTIPYAKEIKVFDV-DHIUTWEWSA-N 2 2 381.539 4.215 20 0 GIADLP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045963 823124453 /nfs/dbraw/zinc/12/44/53/823124453.db2.gz QTIPYAKEIKVFDV-DHIUTWEWSA-N 2 2 381.539 4.215 20 0 GIADLP CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459090434 823126452 /nfs/dbraw/zinc/12/64/52/823126452.db2.gz ZJYXXVFVQLYPQN-SIKLNZKXSA-N 2 2 380.536 4.065 20 0 GIADLP CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459090434 823126456 /nfs/dbraw/zinc/12/64/56/823126456.db2.gz ZJYXXVFVQLYPQN-SIKLNZKXSA-N 2 2 380.536 4.065 20 0 GIADLP C[NH+]1CCC([NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000121325438 823163510 /nfs/dbraw/zinc/16/35/10/823163510.db2.gz UUAJIOCUABFDHE-IBGZPJMESA-N 2 2 377.301 4.361 20 0 GIADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)[C@H]1Sc1ccccc1 ZINC000459364268 823173200 /nfs/dbraw/zinc/17/32/00/823173200.db2.gz JRKNIEPRGCDXPM-DNVJHFABSA-N 2 2 393.556 4.359 20 0 GIADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000459371490 823175077 /nfs/dbraw/zinc/17/50/77/823175077.db2.gz SYBHTZZYSRPLRZ-UHFFFAOYSA-N 2 2 377.517 4.116 20 0 GIADLP C[C@@H]1CC[N@H+](Cn2c3ccccc3nc2SC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000121507322 823196829 /nfs/dbraw/zinc/19/68/29/823196829.db2.gz BOJDLSDHGUBLDI-CJNGLKHVSA-N 2 2 377.464 4.088 20 0 GIADLP c1c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459536499 823214528 /nfs/dbraw/zinc/21/45/28/823214528.db2.gz XEWNPDUNCQQQGB-UHFFFAOYSA-N 2 2 379.552 4.167 20 0 GIADLP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000122344477 823341492 /nfs/dbraw/zinc/34/14/92/823341492.db2.gz BIBCAHYIPQFBGP-QGZVFWFLSA-N 2 2 383.584 4.332 20 0 GIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189212259 823376941 /nfs/dbraw/zinc/37/69/41/823376941.db2.gz ORFBKRUUVGKULA-LJQANCHMSA-N 2 2 392.522 4.386 20 0 GIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1c1cccs1 ZINC000189243559 823380654 /nfs/dbraw/zinc/38/06/54/823380654.db2.gz VWFACVOUKUMRGI-DENIHFKCSA-N 2 2 398.551 4.305 20 0 GIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1c1cccs1 ZINC000189243559 823380657 /nfs/dbraw/zinc/38/06/57/823380657.db2.gz VWFACVOUKUMRGI-DENIHFKCSA-N 2 2 398.551 4.305 20 0 GIADLP CC[C@@H](CC1CCCCC1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460479067 823403125 /nfs/dbraw/zinc/40/31/25/823403125.db2.gz GTFPYRRVFDGZAC-NRFANRHFSA-N 2 2 377.617 4.050 20 0 GIADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccccc2OCc2cccnc2)c[nH+]1 ZINC000030651536 820658473 /nfs/dbraw/zinc/65/84/73/820658473.db2.gz GFKZQEURINZJIE-UHFFFAOYSA-N 2 2 384.483 4.195 20 0 GIADLP CN(c1ccccc1C[NH2+]Cc1coc(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000177587583 823496961 /nfs/dbraw/zinc/49/69/61/823496961.db2.gz SYIMVAQKYQFMTH-UHFFFAOYSA-N 2 2 390.531 4.162 20 0 GIADLP C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181060645 821614185 /nfs/dbraw/zinc/61/41/85/821614185.db2.gz MXIHSRGHDLXDQA-LBPRGKRZSA-N 2 2 380.279 4.323 20 0 GIADLP C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181060645 821614192 /nfs/dbraw/zinc/61/41/92/821614192.db2.gz MXIHSRGHDLXDQA-LBPRGKRZSA-N 2 2 380.279 4.323 20 0 GIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000181586711 821891142 /nfs/dbraw/zinc/89/11/42/821891142.db2.gz OALHJWRVJPUHJS-MOPGFXCFSA-N 2 2 392.547 4.085 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181610483 821902560 /nfs/dbraw/zinc/90/25/60/821902560.db2.gz LINNBUWLTXTHKL-IBGZPJMESA-N 2 2 391.515 4.419 20 0 GIADLP CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182093478 822091205 /nfs/dbraw/zinc/09/12/05/822091205.db2.gz HALBIJAUFQGQIA-MRXNPFEDSA-N 2 2 391.943 4.326 20 0 GIADLP CCCOc1c(Cl)cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182093478 822091215 /nfs/dbraw/zinc/09/12/15/822091215.db2.gz HALBIJAUFQGQIA-MRXNPFEDSA-N 2 2 391.943 4.326 20 0 GIADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccc(F)c(F)c1 ZINC000182602314 822319124 /nfs/dbraw/zinc/31/91/24/822319124.db2.gz CBCKQVKESXWWGY-IBGZPJMESA-N 2 2 375.394 4.075 20 0 GIADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc4ccccc4n3)cc2)CC1 ZINC000178132917 822328609 /nfs/dbraw/zinc/32/86/09/822328609.db2.gz VZIIKMKZHCQFOY-FQEVSTJZSA-N 2 2 388.559 4.223 20 0 GIADLP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000045806964 822415235 /nfs/dbraw/zinc/41/52/35/822415235.db2.gz FQBHKWXDFAXJIE-UHFFFAOYSA-N 2 2 397.485 4.232 20 0 GIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ncc(Br)s1 ZINC000179200728 822450009 /nfs/dbraw/zinc/45/00/09/822450009.db2.gz WBFAOCSHXWQAOC-ZDUSSCGKSA-N 2 2 391.338 4.044 20 0 GIADLP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183526603 822489784 /nfs/dbraw/zinc/48/97/84/822489784.db2.gz JFFFNKXQDBTPLP-QHCPKHFHSA-N 2 2 379.479 4.040 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180008958 822595200 /nfs/dbraw/zinc/59/52/00/822595200.db2.gz MWUPNJWYMJIDGB-OAHLLOKOSA-N 2 2 379.895 4.322 20 0 GIADLP Cn1cc([C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c2cccc(F)c2)cn1 ZINC000180041457 822602876 /nfs/dbraw/zinc/60/28/76/822602876.db2.gz JMTMOTSJKNMTKD-HSZRJFAPSA-N 2 2 378.495 4.034 20 0 GIADLP CCc1nn(C)cc1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000180121668 822619524 /nfs/dbraw/zinc/61/95/24/822619524.db2.gz VQHKETSGPMUUGX-UHFFFAOYSA-N 2 2 385.515 4.184 20 0 GIADLP COc1ccccc1SC[C@@H](C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000180171961 822632048 /nfs/dbraw/zinc/63/20/48/822632048.db2.gz GIQGYDPQDJEWSL-HNNXBMFYSA-N 2 2 390.515 4.430 20 0 GIADLP Fc1ccc(C([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccc(F)cc2)cc1 ZINC000180576363 822705349 /nfs/dbraw/zinc/70/53/49/822705349.db2.gz LVNFHBMWPIZMFN-KRWDZBQOSA-N 2 2 386.486 4.145 20 0 GIADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC(CCCn4cc[nH+]c4)CC3)ccc21 ZINC000455869699 822740016 /nfs/dbraw/zinc/74/00/16/822740016.db2.gz WMZQAVCMNWWQCB-QFIPXVFZSA-N 2 2 395.551 4.156 20 0 GIADLP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000174412015 822786716 /nfs/dbraw/zinc/78/67/16/822786716.db2.gz JELNIVGQGIANDU-NRFANRHFSA-N 2 2 397.906 4.373 20 0 GIADLP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000174412029 822786719 /nfs/dbraw/zinc/78/67/19/822786719.db2.gz JELNIVGQGIANDU-OAQYLSRUSA-N 2 2 397.906 4.373 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000186645114 822928736 /nfs/dbraw/zinc/92/87/36/822928736.db2.gz VYYFWFDEAJFLLQ-HJPURHCSSA-N 2 2 389.478 4.494 20 0 GIADLP CCc1noc(C2CCC([NH2+]C[C@H](C3CC3)[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000186875534 822972728 /nfs/dbraw/zinc/97/27/28/822972728.db2.gz DMFJAXCFFPPSBN-XVAXZDLZSA-N 2 2 382.552 4.158 20 0 GIADLP CCc1noc(C2CCC([NH2+]C[C@H](C3CC3)[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000186875534 822972730 /nfs/dbraw/zinc/97/27/30/822972730.db2.gz DMFJAXCFFPPSBN-XVAXZDLZSA-N 2 2 382.552 4.158 20 0 GIADLP Fc1ccccc1COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000187066813 823006032 /nfs/dbraw/zinc/00/60/32/823006032.db2.gz CEXYAVKPDXIWLE-NRFANRHFSA-N 2 2 383.511 4.250 20 0 GIADLP Fc1ccccc1COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000187066813 823006036 /nfs/dbraw/zinc/00/60/36/823006036.db2.gz CEXYAVKPDXIWLE-NRFANRHFSA-N 2 2 383.511 4.250 20 0 GIADLP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+][C@H](c3ccccc3)c3cncnc3)C2)cc1 ZINC000570205919 823015277 /nfs/dbraw/zinc/01/52/77/823015277.db2.gz ROYWWNGDMQWYSA-WIOPSUGQSA-N 2 2 386.543 4.458 20 0 GIADLP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@H](c3ccccc3)c3cncnc3)C2)cc1 ZINC000570205919 823015279 /nfs/dbraw/zinc/01/52/79/823015279.db2.gz ROYWWNGDMQWYSA-WIOPSUGQSA-N 2 2 386.543 4.458 20 0 GIADLP Brc1ccc(OCc2ccccc2)c(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000060831225 823560745 /nfs/dbraw/zinc/56/07/45/823560745.db2.gz CDGWHRGCLDKHRG-UHFFFAOYSA-N 2 2 386.293 4.014 20 0 GIADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000061069987 823576686 /nfs/dbraw/zinc/57/66/86/823576686.db2.gz SXRZBQTZEKFWRE-UHFFFAOYSA-N 2 2 392.374 4.421 20 0 GIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1C ZINC000411481433 823579958 /nfs/dbraw/zinc/57/99/58/823579958.db2.gz XMEGJOOJSNPYGH-GDBMZVCRSA-N 2 2 392.503 4.250 20 0 GIADLP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC[N@H+](Cc2cscn2)CC1 ZINC000124531021 823604265 /nfs/dbraw/zinc/60/42/65/823604265.db2.gz PEBHFFYEDIQNRI-UHFFFAOYSA-N 2 2 392.450 4.422 20 0 GIADLP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000124531021 823604267 /nfs/dbraw/zinc/60/42/67/823604267.db2.gz PEBHFFYEDIQNRI-UHFFFAOYSA-N 2 2 392.450 4.422 20 0 GIADLP CC1CCC([NH+]2CCC(N(C)C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)CC1 ZINC000061607258 823606291 /nfs/dbraw/zinc/60/62/91/823606291.db2.gz GYEHEGKVLIALMW-UHFFFAOYSA-N 2 2 394.563 4.047 20 0 GIADLP Brc1cc2cccnc2c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000163553256 823720883 /nfs/dbraw/zinc/72/08/83/823720883.db2.gz GYDAFDRWMVIGJK-IBGZPJMESA-N 2 2 388.353 4.448 20 0 GIADLP Brc1cc2cccnc2c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000163553256 823720890 /nfs/dbraw/zinc/72/08/90/823720890.db2.gz GYDAFDRWMVIGJK-IBGZPJMESA-N 2 2 388.353 4.448 20 0 GIADLP COCC[NH+]1CCC([NH2+][C@@H](COc2c(C)cccc2C)c2ccccc2)CC1 ZINC000461888483 823739633 /nfs/dbraw/zinc/73/96/33/823739633.db2.gz GVGREIDZVPQHTJ-QHCPKHFHSA-N 2 2 382.548 4.124 20 0 GIADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCS2 ZINC000163715665 823740952 /nfs/dbraw/zinc/74/09/52/823740952.db2.gz JMTNYEUQWKKTAZ-HXUWFJFHSA-N 2 2 388.964 4.499 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)c1nc2ccccc2s1 ZINC000163722061 823741608 /nfs/dbraw/zinc/74/16/08/823741608.db2.gz RRKHFQCNSMTPEM-ZWKOTPCHSA-N 2 2 395.572 4.410 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)cn1 ZINC000126320321 823839406 /nfs/dbraw/zinc/83/94/06/823839406.db2.gz DAIICKALVPXYPS-GFCCVEGCSA-N 2 2 389.272 4.328 20 0 GIADLP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165581536 823854418 /nfs/dbraw/zinc/85/44/18/823854418.db2.gz QKZABIUZKBNNMT-XMMPIXPASA-N 2 2 397.526 4.499 20 0 GIADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC[C@@H]21 ZINC000166682822 823881177 /nfs/dbraw/zinc/88/11/77/823881177.db2.gz PEOZWPDSKRCVEM-QAPCUYQASA-N 2 2 379.426 4.277 20 0 GIADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC[C@@H]21 ZINC000166682822 823881179 /nfs/dbraw/zinc/88/11/79/823881179.db2.gz PEOZWPDSKRCVEM-QAPCUYQASA-N 2 2 379.426 4.277 20 0 GIADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC[C@@H]21 ZINC000166682822 823881181 /nfs/dbraw/zinc/88/11/81/823881181.db2.gz PEOZWPDSKRCVEM-QAPCUYQASA-N 2 2 379.426 4.277 20 0 GIADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC[C@@H]21 ZINC000166682822 823881184 /nfs/dbraw/zinc/88/11/84/823881184.db2.gz PEOZWPDSKRCVEM-QAPCUYQASA-N 2 2 379.426 4.277 20 0 GIADLP CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3C)ccc2NC1=O ZINC000192159788 823885445 /nfs/dbraw/zinc/88/54/45/823885445.db2.gz LGWROGFYULNDSO-KKSFZXQISA-N 2 2 390.487 4.141 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1csc(-c2ccccc2)n1 ZINC000414064002 823898922 /nfs/dbraw/zinc/89/89/22/823898922.db2.gz FFCWPQPKVJISSX-SFHVURJKSA-N 2 2 393.556 4.493 20 0 GIADLP Brc1cccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)c1 ZINC000414151816 823919087 /nfs/dbraw/zinc/91/90/87/823919087.db2.gz ZFRCDJYRAPBAHO-ICSRJNTNSA-N 2 2 382.305 4.340 20 0 GIADLP COc1ccc([C@H](Cc2ccccc2)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000575792110 823997671 /nfs/dbraw/zinc/99/76/71/823997671.db2.gz VGIQGXXUFDQLBT-QHCPKHFHSA-N 2 2 375.516 4.344 20 0 GIADLP COc1ccc(OCc2nc(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)cs2)cc1 ZINC000414804979 824037833 /nfs/dbraw/zinc/03/78/33/824037833.db2.gz FXHMBPMSNXFGLD-OAHLLOKOSA-N 2 2 383.517 4.040 20 0 GIADLP [NH3+][C@H](C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C1CC1 ZINC000414893627 824046790 /nfs/dbraw/zinc/04/67/90/824046790.db2.gz RXKHTOVRBYCQOT-GOSISDBHSA-N 2 2 378.303 4.073 20 0 GIADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccc(C)c(C)c3[nH+]1)C2 ZINC001164815069 720173835 /nfs/dbraw/zinc/17/38/35/720173835.db2.gz HVLJEFAIKHCHKQ-BWKNWUBXSA-N 2 2 393.575 4.345 20 0 GIADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccc(C)c(C)c3[nH+]1)C2 ZINC001164815069 720173848 /nfs/dbraw/zinc/17/38/48/720173848.db2.gz HVLJEFAIKHCHKQ-BWKNWUBXSA-N 2 2 393.575 4.345 20 0 GIADLP CSCc1cc[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841670 720722538 /nfs/dbraw/zinc/72/25/38/720722538.db2.gz VLQHGVRSBWPFAS-OAQYLSRUSA-N 2 2 397.588 4.205 20 0 GIADLP CSCc1cc[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841670 720722545 /nfs/dbraw/zinc/72/25/45/720722545.db2.gz VLQHGVRSBWPFAS-OAQYLSRUSA-N 2 2 397.588 4.205 20 0 GIADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc(C(C)C)[nH+]1 ZINC001165025797 721802078 /nfs/dbraw/zinc/80/20/78/721802078.db2.gz OYCGETGZFUSMNX-DWLFOUALSA-N 2 2 379.552 4.040 20 0 GIADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc(C(C)C)[nH+]1 ZINC001165025797 721802080 /nfs/dbraw/zinc/80/20/80/721802080.db2.gz OYCGETGZFUSMNX-DWLFOUALSA-N 2 2 379.552 4.040 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(C(C)C)[nH+]1 ZINC001165021538 721823657 /nfs/dbraw/zinc/82/36/57/721823657.db2.gz GAOMDCVNAMOKKL-JBACZVJFSA-N 2 2 379.552 4.040 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(C(C)C)[nH+]1 ZINC001165021538 721823658 /nfs/dbraw/zinc/82/36/58/721823658.db2.gz GAOMDCVNAMOKKL-JBACZVJFSA-N 2 2 379.552 4.040 20 0 GIADLP CCSc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165021403 721829267 /nfs/dbraw/zinc/82/92/67/721829267.db2.gz FIFFIDWLQDWICF-IOMROCGXSA-N 2 2 382.577 4.326 20 0 GIADLP CCSc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165021403 721829268 /nfs/dbraw/zinc/82/92/68/721829268.db2.gz FIFFIDWLQDWICF-IOMROCGXSA-N 2 2 382.577 4.326 20 0 GIADLP CC[NH+](CC)C1CCN(c2[nH+]cnc3c2c(C)c(C)n3Cc2ccccc2)CC1 ZINC001165053017 722005667 /nfs/dbraw/zinc/00/56/67/722005667.db2.gz GYOQGSULDAYMPU-UHFFFAOYSA-N 2 2 391.563 4.407 20 0 GIADLP CN(c1ccccc1C[N@H+](C)Cc1nc2ccccc2s1)C1CC[NH+](C)CC1 ZINC000120795225 823065506 /nfs/dbraw/zinc/06/55/06/823065506.db2.gz PNKOIKCVUJMLND-UHFFFAOYSA-N 2 2 394.588 4.459 20 0 GIADLP CN(c1ccccc1C[N@@H+](C)Cc1nc2ccccc2s1)C1CC[NH+](C)CC1 ZINC000120795225 823065510 /nfs/dbraw/zinc/06/55/10/823065510.db2.gz PNKOIKCVUJMLND-UHFFFAOYSA-N 2 2 394.588 4.459 20 0 GIADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)[C@H]1Sc1ccccc1 ZINC000459372948 823175364 /nfs/dbraw/zinc/17/53/64/823175364.db2.gz UZOFCWUFVNNWKC-YTFSRNRJSA-N 2 2 393.556 4.359 20 0 GIADLP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442388 823192741 /nfs/dbraw/zinc/19/27/41/823192741.db2.gz JKMAPBLJWXXAHZ-LAUBAEHRSA-N 3 2 395.513 4.305 20 0 GIADLP C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442388 823192742 /nfs/dbraw/zinc/19/27/42/823192742.db2.gz JKMAPBLJWXXAHZ-LAUBAEHRSA-N 3 2 395.513 4.305 20 0 GIADLP CCOc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc(Cl)c1O ZINC000459561480 823220518 /nfs/dbraw/zinc/22/05/18/823220518.db2.gz PGIQCIWEFRXYBB-UHFFFAOYSA-N 2 2 377.916 4.333 20 0 GIADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000571947347 823258509 /nfs/dbraw/zinc/25/85/09/823258509.db2.gz LELZIOQVGMXCGJ-QFIPXVFZSA-N 2 2 390.531 4.088 20 0 GIADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000571947347 823258513 /nfs/dbraw/zinc/25/85/13/823258513.db2.gz LELZIOQVGMXCGJ-QFIPXVFZSA-N 2 2 390.531 4.088 20 0 GIADLP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000409711018 823288294 /nfs/dbraw/zinc/28/82/94/823288294.db2.gz JJZCBKVHGOJSQQ-UHFFFAOYSA-N 2 2 377.261 4.168 20 0 GIADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(-n2cncn2)cc1Cl ZINC000572209236 823300869 /nfs/dbraw/zinc/30/08/69/823300869.db2.gz SAYWJGOVYRGCKM-INIZCTEOSA-N 2 2 392.894 4.016 20 0 GIADLP COc1ccc(OCc2ccccn2)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000176992789 823344861 /nfs/dbraw/zinc/34/48/61/823344861.db2.gz GPZLZQVDPOLFFZ-UHFFFAOYSA-N 2 2 395.547 4.166 20 0 GIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123332237 823497511 /nfs/dbraw/zinc/49/75/11/823497511.db2.gz JQYBEBNZYQSTAP-TYGFWLQKSA-N 2 2 396.535 4.453 20 0 GIADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000123702269 823533111 /nfs/dbraw/zinc/53/31/11/823533111.db2.gz LSXMEOGMWGMYBQ-HNNXBMFYSA-N 2 2 398.894 4.041 20 0 GIADLP C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180706978 821407820 /nfs/dbraw/zinc/40/78/20/821407820.db2.gz TWQMZUBSNMKMDP-OAHLLOKOSA-N 2 2 393.878 4.469 20 0 GIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533155 821601198 /nfs/dbraw/zinc/60/11/98/821601198.db2.gz DBSXSPWPJZWTQO-RYUDHWBXSA-N 2 2 390.163 4.204 20 0 GIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533155 821601201 /nfs/dbraw/zinc/60/12/01/821601201.db2.gz DBSXSPWPJZWTQO-RYUDHWBXSA-N 2 2 390.163 4.204 20 0 GIADLP C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181060667 821614136 /nfs/dbraw/zinc/61/41/36/821614136.db2.gz MXIHSRGHDLXDQA-GFCCVEGCSA-N 2 2 380.279 4.323 20 0 GIADLP C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181060667 821614142 /nfs/dbraw/zinc/61/41/42/821614142.db2.gz MXIHSRGHDLXDQA-GFCCVEGCSA-N 2 2 380.279 4.323 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)on1 ZINC000181134374 821654558 /nfs/dbraw/zinc/65/45/58/821654558.db2.gz FLRPOWSLERYHIN-AEFFLSMTSA-N 2 2 379.504 4.418 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)on1 ZINC000181134374 821654563 /nfs/dbraw/zinc/65/45/63/821654563.db2.gz FLRPOWSLERYHIN-AEFFLSMTSA-N 2 2 379.504 4.418 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)on1 ZINC000181134374 821654568 /nfs/dbraw/zinc/65/45/68/821654568.db2.gz FLRPOWSLERYHIN-AEFFLSMTSA-N 2 2 379.504 4.418 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)on1 ZINC000181134374 821654574 /nfs/dbraw/zinc/65/45/74/821654574.db2.gz FLRPOWSLERYHIN-AEFFLSMTSA-N 2 2 379.504 4.418 20 0 GIADLP CC[C@@H](C)[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000182673234 822347070 /nfs/dbraw/zinc/34/70/70/822347070.db2.gz ZCSATKJNNVIBCG-OAHLLOKOSA-N 2 2 382.430 4.031 20 0 GIADLP CC[C@@H](C)[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000182673234 822347088 /nfs/dbraw/zinc/34/70/88/822347088.db2.gz ZCSATKJNNVIBCG-OAHLLOKOSA-N 2 2 382.430 4.031 20 0 GIADLP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2c(C)cccc2Cl)CC1 ZINC000182771522 822365086 /nfs/dbraw/zinc/36/50/86/822365086.db2.gz YIUPXRCVLUVIII-UHFFFAOYSA-N 2 2 379.976 4.421 20 0 GIADLP C[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183104240 822424885 /nfs/dbraw/zinc/42/48/85/822424885.db2.gz MPGQOOMIHNDULT-WBVHZDCISA-N 2 2 399.560 4.281 20 0 GIADLP C[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183104240 822424887 /nfs/dbraw/zinc/42/48/87/822424887.db2.gz MPGQOOMIHNDULT-WBVHZDCISA-N 2 2 399.560 4.281 20 0 GIADLP Cc1cc(C)c(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c[nH+]1 ZINC000454311238 822456303 /nfs/dbraw/zinc/45/63/03/822456303.db2.gz KWTVELBNIMEIKV-LJQANCHMSA-N 2 2 380.536 4.072 20 0 GIADLP Cc1cc(C)c(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c[nH+]1 ZINC000454311238 822456306 /nfs/dbraw/zinc/45/63/06/822456306.db2.gz KWTVELBNIMEIKV-LJQANCHMSA-N 2 2 380.536 4.072 20 0 GIADLP COc1ccc(OCc2ccccn2)c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000184332325 822616776 /nfs/dbraw/zinc/61/67/76/822616776.db2.gz QWFLGQZNVYWDHB-LJQANCHMSA-N 2 2 383.536 4.023 20 0 GIADLP CC[C@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000180126460 822620883 /nfs/dbraw/zinc/62/08/83/822620883.db2.gz UKSIVJNZQKIKMA-KRWDZBQOSA-N 2 2 378.973 4.098 20 0 GIADLP CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000184696630 822678090 /nfs/dbraw/zinc/67/80/90/822678090.db2.gz SAXHWQNGCLTQEZ-UHFFFAOYSA-N 2 2 389.927 4.188 20 0 GIADLP CC[N@H+](Cc1cc(Cl)cc(OC)c1O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000184696630 822678092 /nfs/dbraw/zinc/67/80/92/822678092.db2.gz SAXHWQNGCLTQEZ-UHFFFAOYSA-N 2 2 389.927 4.188 20 0 GIADLP COc1ccccc1SC[C@H](C)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000180446610 822683579 /nfs/dbraw/zinc/68/35/79/822683579.db2.gz XDKWOGHPZXTATN-GOSISDBHSA-N 2 2 385.577 4.073 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc(Br)cc(F)c1O ZINC000185459509 822786997 /nfs/dbraw/zinc/78/69/97/822786997.db2.gz DISAOGDZAZZBNF-NSHDSACASA-N 2 2 399.279 4.345 20 0 GIADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)OC(C)C ZINC000186379607 822884918 /nfs/dbraw/zinc/88/49/18/822884918.db2.gz HKVNDDHJDHOCKO-APTRMMRNSA-N 2 2 397.563 4.057 20 0 GIADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)OC(C)C ZINC000186379607 822884922 /nfs/dbraw/zinc/88/49/22/822884922.db2.gz HKVNDDHJDHOCKO-APTRMMRNSA-N 2 2 397.563 4.057 20 0 GIADLP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cc2c(ccc3ccccc23)o1 ZINC000569687276 822955436 /nfs/dbraw/zinc/95/54/36/822955436.db2.gz YLWOOUCLMBQAQN-CQSZACIVSA-N 2 2 375.476 4.022 20 0 GIADLP Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1O ZINC000187080627 823007900 /nfs/dbraw/zinc/00/79/00/823007900.db2.gz AHMXQOHRKWZITN-CQSZACIVSA-N 2 2 386.293 4.500 20 0 GIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c(O)ccc(Cl)c3F)cc2)C[C@@H](C)O1 ZINC000190730433 823602762 /nfs/dbraw/zinc/60/27/62/823602762.db2.gz YVNKPCMVCOOEEC-HUUCEWRRSA-N 2 2 392.902 4.084 20 0 GIADLP CN(C(=O)c1cccc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124560197 823606499 /nfs/dbraw/zinc/60/64/99/823606499.db2.gz QLOOEULJVZGRQI-RPWUZVMVSA-N 2 2 393.575 4.249 20 0 GIADLP CN(C(=O)c1cccc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124560197 823606500 /nfs/dbraw/zinc/60/65/00/823606500.db2.gz QLOOEULJVZGRQI-RPWUZVMVSA-N 2 2 393.575 4.249 20 0 GIADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124668660 823615781 /nfs/dbraw/zinc/61/57/81/823615781.db2.gz BRWKZKRWWSFGJA-XZOQPEGZSA-N 2 2 385.596 4.219 20 0 GIADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124668660 823615782 /nfs/dbraw/zinc/61/57/82/823615782.db2.gz BRWKZKRWWSFGJA-XZOQPEGZSA-N 2 2 385.596 4.219 20 0 GIADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000062427026 823635264 /nfs/dbraw/zinc/63/52/64/823635264.db2.gz RNMHTUFJYOTANO-KRWDZBQOSA-N 2 2 395.378 4.367 20 0 GIADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000062427026 823635265 /nfs/dbraw/zinc/63/52/65/823635265.db2.gz RNMHTUFJYOTANO-KRWDZBQOSA-N 2 2 395.378 4.367 20 0 GIADLP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000412246649 823639438 /nfs/dbraw/zinc/63/94/38/823639438.db2.gz PAQNYYZXFNJWSN-UHFFFAOYSA-N 2 2 394.563 4.202 20 0 GIADLP Cc1c([C@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cnn1C(C)C ZINC000191187960 823657647 /nfs/dbraw/zinc/65/76/47/823657647.db2.gz GPSYULKDOKHDDZ-NRFANRHFSA-N 2 2 397.611 4.021 20 0 GIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000574319087 823701896 /nfs/dbraw/zinc/70/18/96/823701896.db2.gz CLQBBZBQYZKVJZ-UHFFFAOYSA-N 2 2 391.338 4.291 20 0 GIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000574319087 823701899 /nfs/dbraw/zinc/70/18/99/823701899.db2.gz CLQBBZBQYZKVJZ-UHFFFAOYSA-N 2 2 391.338 4.291 20 0 GIADLP CC(C)CC[NH+]1CCC(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000163589537 823726188 /nfs/dbraw/zinc/72/61/88/823726188.db2.gz POHDEAWJQCCECQ-UHFFFAOYSA-N 3 2 386.628 4.069 20 0 GIADLP Clc1cccc2c1OCCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163699584 823738732 /nfs/dbraw/zinc/73/87/32/823738732.db2.gz FWRSMHKBCRAUAO-OAQYLSRUSA-N 2 2 386.923 4.176 20 0 GIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163902217 823758611 /nfs/dbraw/zinc/75/86/11/823758611.db2.gz KSSYCDYHWFDLCZ-HNNXBMFYSA-N 2 2 376.342 4.161 20 0 GIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163902217 823758615 /nfs/dbraw/zinc/75/86/15/823758615.db2.gz KSSYCDYHWFDLCZ-HNNXBMFYSA-N 2 2 376.342 4.161 20 0 GIADLP CC(C)([NH3+])c1noc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)n1 ZINC000574573202 823770240 /nfs/dbraw/zinc/77/02/40/823770240.db2.gz YJPHFSPGXOLNIW-FPOVZHCZSA-N 2 2 376.504 4.214 20 0 GIADLP CN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165544009 823853012 /nfs/dbraw/zinc/85/30/12/823853012.db2.gz WETWTRVWYZGRLW-UXHICEINSA-N 2 2 392.975 4.141 20 0 GIADLP CN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165544009 823853023 /nfs/dbraw/zinc/85/30/23/823853023.db2.gz WETWTRVWYZGRLW-UXHICEINSA-N 2 2 392.975 4.141 20 0 GIADLP C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000166177773 823871738 /nfs/dbraw/zinc/87/17/38/823871738.db2.gz GRSMMKZPZBAAIC-KRWDZBQOSA-N 2 2 396.485 4.466 20 0 GIADLP COc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C(C)C)c(Br)c1 ZINC000574995009 823882183 /nfs/dbraw/zinc/88/21/83/823882183.db2.gz SLUSAWIBGXJZOI-SGTLLEGYSA-N 2 2 378.314 4.025 20 0 GIADLP CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000167152106 823886977 /nfs/dbraw/zinc/88/69/77/823886977.db2.gz KKAJAYDAZOXFQW-LJQANCHMSA-N 2 2 379.504 4.447 20 0 GIADLP O=C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccc(Cl)cc1 ZINC000575044870 823899098 /nfs/dbraw/zinc/89/90/98/823899098.db2.gz AMYYJPQKBYOAOD-HXUWFJFHSA-N 2 2 383.923 4.065 20 0 GIADLP O=C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccc(Cl)cc1 ZINC000575044870 823899102 /nfs/dbraw/zinc/89/91/02/823899102.db2.gz AMYYJPQKBYOAOD-HXUWFJFHSA-N 2 2 383.923 4.065 20 0 GIADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)s1 ZINC000414075790 823902546 /nfs/dbraw/zinc/90/25/46/823902546.db2.gz XVHZUWLRARZDFV-CVEARBPZSA-N 2 2 387.549 4.155 20 0 GIADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)s1 ZINC000414075790 823902562 /nfs/dbraw/zinc/90/25/62/823902562.db2.gz XVHZUWLRARZDFV-CVEARBPZSA-N 2 2 387.549 4.155 20 0 GIADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)s1 ZINC000414113101 823912536 /nfs/dbraw/zinc/91/25/36/823912536.db2.gz KCHZJLUGCCOBQZ-HNNXBMFYSA-N 2 2 399.516 4.006 20 0 GIADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)s1 ZINC000414113101 823912542 /nfs/dbraw/zinc/91/25/42/823912542.db2.gz KCHZJLUGCCOBQZ-HNNXBMFYSA-N 2 2 399.516 4.006 20 0 GIADLP Brc1cccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)c1 ZINC000414114240 823912768 /nfs/dbraw/zinc/91/27/68/823912768.db2.gz AIJPTEUHXFRNLK-FXAWDEMLSA-N 2 2 382.305 4.409 20 0 GIADLP Brc1cccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)c1 ZINC000414114243 823913106 /nfs/dbraw/zinc/91/31/06/823913106.db2.gz AIJPTEUHXFRNLK-PXNSSMCTSA-N 2 2 382.305 4.409 20 0 GIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130824 823916666 /nfs/dbraw/zinc/91/66/66/823916666.db2.gz WXWYYFMASBNFAO-QOKNQOGYSA-N 2 2 380.458 4.173 20 0 GIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130824 823916672 /nfs/dbraw/zinc/91/66/72/823916672.db2.gz WXWYYFMASBNFAO-QOKNQOGYSA-N 2 2 380.458 4.173 20 0 GIADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccnc1Cl ZINC000126693181 823928939 /nfs/dbraw/zinc/92/89/39/823928939.db2.gz SVKALAYZBPJSFC-GJZGRUSLSA-N 2 2 376.907 4.038 20 0 GIADLP Clc1ccc2c(NCc3cccc(OCC[NH+]4CCOCC4)c3)cc[nH+]c2c1 ZINC000462383318 823952714 /nfs/dbraw/zinc/95/27/14/823952714.db2.gz FBEUHMVATSWZPL-UHFFFAOYSA-N 2 2 397.906 4.211 20 0 GIADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C3CCCCC3)[nH+]c(C)n1)C2 ZINC001164818089 720156383 /nfs/dbraw/zinc/15/63/83/720156383.db2.gz RTYLRMUSIIIWRT-QPPBQGQZSA-N 2 2 398.595 4.017 20 0 GIADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C3CCCCC3)[nH+]c(C)n1)C2 ZINC001164818089 720156389 /nfs/dbraw/zinc/15/63/89/720156389.db2.gz RTYLRMUSIIIWRT-QPPBQGQZSA-N 2 2 398.595 4.017 20 0 GIADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3ccc(C)c(C)c3[nH+]1)C2 ZINC001164815071 720174406 /nfs/dbraw/zinc/17/44/06/720174406.db2.gz HVLJEFAIKHCHKQ-PXDATVDWSA-N 2 2 393.575 4.345 20 0 GIADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3ccc(C)c(C)c3[nH+]1)C2 ZINC001164815071 720174413 /nfs/dbraw/zinc/17/44/13/720174413.db2.gz HVLJEFAIKHCHKQ-PXDATVDWSA-N 2 2 393.575 4.345 20 0 GIADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838523 720548495 /nfs/dbraw/zinc/54/84/95/720548495.db2.gz OGXWREKRIWFRHZ-TXTKFYIRSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838523 720548505 /nfs/dbraw/zinc/54/85/05/720548505.db2.gz OGXWREKRIWFRHZ-TXTKFYIRSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)cc(C2CCCCC2)[nH+]1 ZINC001164861673 720993278 /nfs/dbraw/zinc/99/32/78/720993278.db2.gz QCNLSADDIUZNLM-KRWDZBQOSA-N 2 2 396.583 4.451 20 0 GIADLP Cc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)cc(C2CCCCC2)[nH+]1 ZINC001164861673 720993287 /nfs/dbraw/zinc/99/32/87/720993287.db2.gz QCNLSADDIUZNLM-KRWDZBQOSA-N 2 2 396.583 4.451 20 0 GIADLP Cc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(C(C)(C)C)[nH+]1 ZINC001164795054 721501791 /nfs/dbraw/zinc/50/17/91/721501791.db2.gz BSPCQIUGBJKSHH-UHFFFAOYSA-N 2 2 393.579 4.359 20 0 GIADLP Cc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc(C(C)(C)C)[nH+]1 ZINC001164795054 721501796 /nfs/dbraw/zinc/50/17/96/721501796.db2.gz BSPCQIUGBJKSHH-UHFFFAOYSA-N 2 2 393.579 4.359 20 0 GIADLP CC(C)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]c1 ZINC001164905603 721708827 /nfs/dbraw/zinc/70/88/27/721708827.db2.gz HWDXELIFZNXPNY-OAQYLSRUSA-N 2 2 386.490 4.338 20 0 GIADLP CC(C)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]c1 ZINC001164905603 721708830 /nfs/dbraw/zinc/70/88/30/721708830.db2.gz HWDXELIFZNXPNY-OAQYLSRUSA-N 2 2 386.490 4.338 20 0 GIADLP FC1(F)CCN(c2cc(C3CC3)cc[nH+]2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907833 721709398 /nfs/dbraw/zinc/70/93/98/721709398.db2.gz UMKREVWGJQVRIY-NRFANRHFSA-N 2 2 384.474 4.092 20 0 GIADLP FC1(F)CCN(c2cc(C3CC3)cc[nH+]2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907833 721709403 /nfs/dbraw/zinc/70/94/03/721709403.db2.gz UMKREVWGJQVRIY-NRFANRHFSA-N 2 2 384.474 4.092 20 0 GIADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc(C(C)C)[nH+]1 ZINC001165025798 721801980 /nfs/dbraw/zinc/80/19/80/721801980.db2.gz OYCGETGZFUSMNX-RCZSKKKRSA-N 2 2 379.552 4.040 20 0 GIADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc(C(C)C)[nH+]1 ZINC001165025798 721801981 /nfs/dbraw/zinc/80/19/81/721801981.db2.gz OYCGETGZFUSMNX-RCZSKKKRSA-N 2 2 379.552 4.040 20 0 GIADLP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045966 823124609 /nfs/dbraw/zinc/12/46/09/823124609.db2.gz QTIPYAKEIKVFDV-XZOQPEGZSA-N 2 2 381.539 4.215 20 0 GIADLP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045966 823124613 /nfs/dbraw/zinc/12/46/13/823124613.db2.gz QTIPYAKEIKVFDV-XZOQPEGZSA-N 2 2 381.539 4.215 20 0 GIADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000121263709 823150669 /nfs/dbraw/zinc/15/06/69/823150669.db2.gz KQIGFEAGWVFZQF-INIZCTEOSA-N 2 2 397.548 4.273 20 0 GIADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000121263709 823150672 /nfs/dbraw/zinc/15/06/72/823150672.db2.gz KQIGFEAGWVFZQF-INIZCTEOSA-N 2 2 397.548 4.273 20 0 GIADLP COc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)ccc1OC(F)F ZINC000571468722 823187479 /nfs/dbraw/zinc/18/74/79/823187479.db2.gz CBYATCJUHDEQAE-UHFFFAOYSA-N 2 2 387.430 4.423 20 0 GIADLP COc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)ccc1OC(F)F ZINC000571468722 823187481 /nfs/dbraw/zinc/18/74/81/823187481.db2.gz CBYATCJUHDEQAE-UHFFFAOYSA-N 2 2 387.430 4.423 20 0 GIADLP C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442378 823192601 /nfs/dbraw/zinc/19/26/01/823192601.db2.gz JKMAPBLJWXXAHZ-DYESRHJHSA-N 3 2 395.513 4.305 20 0 GIADLP C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442378 823192606 /nfs/dbraw/zinc/19/26/06/823192606.db2.gz JKMAPBLJWXXAHZ-DYESRHJHSA-N 3 2 395.513 4.305 20 0 GIADLP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442391 823192736 /nfs/dbraw/zinc/19/27/36/823192736.db2.gz JKMAPBLJWXXAHZ-UWJYYQICSA-N 3 2 395.513 4.305 20 0 GIADLP C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442391 823192737 /nfs/dbraw/zinc/19/27/37/823192737.db2.gz JKMAPBLJWXXAHZ-UWJYYQICSA-N 3 2 395.513 4.305 20 0 GIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(O)c2Br)[C@H]1c1cccs1 ZINC000459441452 823192750 /nfs/dbraw/zinc/19/27/50/823192750.db2.gz VZSLTQWYRVNUCI-KSSFIOAISA-N 2 2 395.366 4.389 20 0 GIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(O)c2Br)[C@H]1c1cccs1 ZINC000459441452 823192751 /nfs/dbraw/zinc/19/27/51/823192751.db2.gz VZSLTQWYRVNUCI-KSSFIOAISA-N 2 2 395.366 4.389 20 0 GIADLP C[C@H]1CN(c2ccccc2C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCO1 ZINC000459568978 823222222 /nfs/dbraw/zinc/22/22/22/823222222.db2.gz LHTNOUKEVNRJOG-KRWDZBQOSA-N 2 2 396.922 4.041 20 0 GIADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000409730005 823292724 /nfs/dbraw/zinc/29/27/24/823292724.db2.gz FURKJFCGCWMERA-WFASDCNBSA-N 2 2 378.289 4.057 20 0 GIADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000409730005 823292730 /nfs/dbraw/zinc/29/27/30/823292730.db2.gz FURKJFCGCWMERA-WFASDCNBSA-N 2 2 378.289 4.057 20 0 GIADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000572290997 823314574 /nfs/dbraw/zinc/31/45/74/823314574.db2.gz UNVHUSGOXOXRCS-SFHVURJKSA-N 2 2 389.528 4.030 20 0 GIADLP CN(C(=O)c1cccc(C2CCC2)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409852689 823326583 /nfs/dbraw/zinc/32/65/83/823326583.db2.gz JTXVTNGXQOIEAB-BJKOFHAPSA-N 2 2 397.607 4.363 20 0 GIADLP CN(C(=O)c1cccc(C2CCC2)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409852689 823326587 /nfs/dbraw/zinc/32/65/87/823326587.db2.gz JTXVTNGXQOIEAB-BJKOFHAPSA-N 2 2 397.607 4.363 20 0 GIADLP CN(C(=O)c1cccc(C2CCC2)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409852692 823326860 /nfs/dbraw/zinc/32/68/60/823326860.db2.gz JTXVTNGXQOIEAB-ZEQRLZLVSA-N 2 2 397.607 4.363 20 0 GIADLP CN(C(=O)c1cccc(C2CCC2)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409852692 823326863 /nfs/dbraw/zinc/32/68/63/823326863.db2.gz JTXVTNGXQOIEAB-ZEQRLZLVSA-N 2 2 397.607 4.363 20 0 GIADLP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000057847230 823341005 /nfs/dbraw/zinc/34/10/05/823341005.db2.gz VPHHTIFLYPYJSO-AWEZNQCLSA-N 2 2 386.367 4.374 20 0 GIADLP C[C@@H](c1cccc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)c1)[NH+]1CCOCC1 ZINC000572479752 823347368 /nfs/dbraw/zinc/34/73/68/823347368.db2.gz IDRPIBKFSVHGDM-GHTZIAJQSA-N 2 2 387.568 4.096 20 0 GIADLP Cc1sc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(C)c1C ZINC000460351176 823361048 /nfs/dbraw/zinc/36/10/48/823361048.db2.gz SFTDPVXRWALGQN-HOTGVXAUSA-N 2 2 399.604 4.358 20 0 GIADLP CC[C@H](CC1CCCCC1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460479068 823403103 /nfs/dbraw/zinc/40/31/03/823403103.db2.gz GTFPYRRVFDGZAC-OAQYLSRUSA-N 2 2 377.617 4.050 20 0 GIADLP CCCCC1CCC(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000460507443 823411685 /nfs/dbraw/zinc/41/16/85/823411685.db2.gz LEWXTDWVPHVHTM-UHFFFAOYSA-N 2 2 377.617 4.050 20 0 GIADLP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177489027 823474405 /nfs/dbraw/zinc/47/44/05/823474405.db2.gz CVDRZYNDWOOHSV-MOPGFXCFSA-N 2 2 389.584 4.006 20 0 GIADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000030558101 820640392 /nfs/dbraw/zinc/64/03/92/820640392.db2.gz MWEQCZBGRDSGCO-UHFFFAOYSA-N 2 2 386.565 4.223 20 0 GIADLP C[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900523 823511759 /nfs/dbraw/zinc/51/17/59/823511759.db2.gz LXSABULPEQLSTM-KUHUBIRLSA-N 2 2 375.394 4.275 20 0 GIADLP C[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900543 823511836 /nfs/dbraw/zinc/51/18/36/823511836.db2.gz LXSABULPEQLSTM-IFXJQAMLSA-N 2 2 375.394 4.275 20 0 GIADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181114325 821640471 /nfs/dbraw/zinc/64/04/71/821640471.db2.gz YTFIMVUMTBXUNC-SFHVURJKSA-N 2 2 378.476 4.025 20 0 GIADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181114325 821640479 /nfs/dbraw/zinc/64/04/79/821640479.db2.gz YTFIMVUMTBXUNC-SFHVURJKSA-N 2 2 378.476 4.025 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1nc2c(s1)CCCC2 ZINC000181194714 821689706 /nfs/dbraw/zinc/68/97/06/821689706.db2.gz ZHWVPIYJJNBVDJ-KURKYZTESA-N 2 2 399.604 4.482 20 0 GIADLP COCCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000181383529 821798120 /nfs/dbraw/zinc/79/81/20/821798120.db2.gz OHEZOQOQVUFMOH-KRWDZBQOSA-N 2 2 387.593 4.264 20 0 GIADLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3cc4ccccc4s3)CC2)cc1 ZINC000181892147 822028716 /nfs/dbraw/zinc/02/87/16/822028716.db2.gz BNGZIKQWKSDAFT-OAQYLSRUSA-N 2 2 391.540 4.061 20 0 GIADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000182090041 822089397 /nfs/dbraw/zinc/08/93/97/822089397.db2.gz OVKRROLSOVDGPP-RTBURBONSA-N 2 2 395.547 4.196 20 0 GIADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000182192527 822140091 /nfs/dbraw/zinc/14/00/91/822140091.db2.gz LKZQEWNEXSOOIX-UHFFFAOYSA-N 2 2 396.453 4.244 20 0 GIADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000182192527 822140094 /nfs/dbraw/zinc/14/00/94/822140094.db2.gz LKZQEWNEXSOOIX-UHFFFAOYSA-N 2 2 396.453 4.244 20 0 GIADLP COc1ccccc1N1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000178231385 822356855 /nfs/dbraw/zinc/35/68/55/822356855.db2.gz PDVRFPDVLUXFOA-SFHVURJKSA-N 2 2 376.504 4.201 20 0 GIADLP OC1CC[NH+](CCC[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000178522786 822387691 /nfs/dbraw/zinc/38/76/91/822387691.db2.gz FWGBHJDLGCSWBS-QFIPXVFZSA-N 2 2 390.930 4.199 20 0 GIADLP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000178626698 822397463 /nfs/dbraw/zinc/39/74/63/822397463.db2.gz UEIOXGRCEVISEU-SFHVURJKSA-N 2 2 385.515 4.491 20 0 GIADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nnn1-c1ccc(F)cc1 ZINC000183193953 822439213 /nfs/dbraw/zinc/43/92/13/822439213.db2.gz KMSZGTJGZTWIIU-XYJFISCASA-N 2 2 385.531 4.018 20 0 GIADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nnn1-c1ccc(F)cc1 ZINC000183193953 822439214 /nfs/dbraw/zinc/43/92/14/822439214.db2.gz KMSZGTJGZTWIIU-XYJFISCASA-N 2 2 385.531 4.018 20 0 GIADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000046155927 822445403 /nfs/dbraw/zinc/44/54/03/822445403.db2.gz BQVPWKAUVPRRTH-IBGZPJMESA-N 2 2 388.515 4.416 20 0 GIADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000046155927 822445406 /nfs/dbraw/zinc/44/54/06/822445406.db2.gz BQVPWKAUVPRRTH-IBGZPJMESA-N 2 2 388.515 4.416 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ncc(Br)s1 ZINC000179195683 822449193 /nfs/dbraw/zinc/44/91/93/822449193.db2.gz WWCHUHRYECHBEI-ZDUSSCGKSA-N 2 2 380.355 4.352 20 0 GIADLP Brc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000180009096 822595360 /nfs/dbraw/zinc/59/53/60/822595360.db2.gz BJMCJOVHAQJSDK-FQEVSTJZSA-N 2 2 382.305 4.471 20 0 GIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCOc2cccc3cccnc32)CC1 ZINC000180172674 822632224 /nfs/dbraw/zinc/63/22/24/822632224.db2.gz VSIOTCZQIALJLC-UHFFFAOYSA-N 2 2 381.442 4.010 20 0 GIADLP COc1ccccc1[C@@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)[NH+]1CCCCC1 ZINC000455471588 822661055 /nfs/dbraw/zinc/66/10/55/822661055.db2.gz IXQRPBJROXJMSK-HXUWFJFHSA-N 2 2 396.535 4.364 20 0 GIADLP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000180445816 822683400 /nfs/dbraw/zinc/68/34/00/822683400.db2.gz RQFBZQPCBNBNTQ-SBHAEUEKSA-N 2 2 399.604 4.319 20 0 GIADLP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000180445816 822683402 /nfs/dbraw/zinc/68/34/02/822683402.db2.gz RQFBZQPCBNBNTQ-SBHAEUEKSA-N 2 2 399.604 4.319 20 0 GIADLP CCO[C@@H](C)c1nc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000174389786 822782374 /nfs/dbraw/zinc/78/23/74/822782374.db2.gz FQQQPCJKHDOXGB-KRWDZBQOSA-N 2 2 388.581 4.374 20 0 GIADLP CCO[C@@H](C)c1nc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000174389786 822782376 /nfs/dbraw/zinc/78/23/76/822782376.db2.gz FQQQPCJKHDOXGB-KRWDZBQOSA-N 2 2 388.581 4.374 20 0 GIADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc(Br)cc(F)c1O ZINC000185459524 822786985 /nfs/dbraw/zinc/78/69/85/822786985.db2.gz DISAOGDZAZZBNF-LLVKDONJSA-N 2 2 399.279 4.345 20 0 GIADLP C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185699581 822811375 /nfs/dbraw/zinc/81/13/75/822811375.db2.gz NIWIGURLXJYGET-OALUTQOASA-N 2 2 378.564 4.104 20 0 GIADLP C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185699581 822811376 /nfs/dbraw/zinc/81/13/76/822811376.db2.gz NIWIGURLXJYGET-OALUTQOASA-N 2 2 378.564 4.104 20 0 GIADLP CCCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000569255100 822897184 /nfs/dbraw/zinc/89/71/84/822897184.db2.gz UNIDYKQUIPMGTB-WMLDXEAASA-N 2 2 399.373 4.019 20 0 GIADLP CCCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000569255100 822897187 /nfs/dbraw/zinc/89/71/87/822897187.db2.gz UNIDYKQUIPMGTB-WMLDXEAASA-N 2 2 399.373 4.019 20 0 GIADLP CCCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000569255100 822897193 /nfs/dbraw/zinc/89/71/93/822897193.db2.gz UNIDYKQUIPMGTB-WMLDXEAASA-N 2 2 399.373 4.019 20 0 GIADLP CCCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000569255100 822897198 /nfs/dbraw/zinc/89/71/98/822897198.db2.gz UNIDYKQUIPMGTB-WMLDXEAASA-N 2 2 399.373 4.019 20 0 GIADLP CCCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000569255098 822897256 /nfs/dbraw/zinc/89/72/56/822897256.db2.gz UNIDYKQUIPMGTB-PBHICJAKSA-N 2 2 399.373 4.019 20 0 GIADLP CCCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000569255098 822897258 /nfs/dbraw/zinc/89/72/58/822897258.db2.gz UNIDYKQUIPMGTB-PBHICJAKSA-N 2 2 399.373 4.019 20 0 GIADLP CCCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000569255098 822897261 /nfs/dbraw/zinc/89/72/61/822897261.db2.gz UNIDYKQUIPMGTB-PBHICJAKSA-N 2 2 399.373 4.019 20 0 GIADLP CCCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000569255098 822897266 /nfs/dbraw/zinc/89/72/66/822897266.db2.gz UNIDYKQUIPMGTB-PBHICJAKSA-N 2 2 399.373 4.019 20 0 GIADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1)C[C@@H]1CCCCO1 ZINC000569705985 822957271 /nfs/dbraw/zinc/95/72/71/822957271.db2.gz CMLWLKVWHRJOTG-GCJKJVERSA-N 2 2 398.551 4.007 20 0 GIADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1)C[C@@H]1CCCCO1 ZINC000569705985 822957275 /nfs/dbraw/zinc/95/72/75/822957275.db2.gz CMLWLKVWHRJOTG-GCJKJVERSA-N 2 2 398.551 4.007 20 0 GIADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000569705985 822957277 /nfs/dbraw/zinc/95/72/77/822957277.db2.gz CMLWLKVWHRJOTG-GCJKJVERSA-N 2 2 398.551 4.007 20 0 GIADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000569705985 822957278 /nfs/dbraw/zinc/95/72/78/822957278.db2.gz CMLWLKVWHRJOTG-GCJKJVERSA-N 2 2 398.551 4.007 20 0 GIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(-c3ccco3)on2)CC1 ZINC000411449871 823575749 /nfs/dbraw/zinc/57/57/49/823575749.db2.gz FPCPZNKTWWEZTN-MRXNPFEDSA-N 2 2 398.482 4.066 20 0 GIADLP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411577862 823589046 /nfs/dbraw/zinc/58/90/46/823589046.db2.gz ARWMWZDDDYTLBT-DQEYMECFSA-N 3 2 392.591 4.192 20 0 GIADLP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411577862 823589048 /nfs/dbraw/zinc/58/90/48/823589048.db2.gz ARWMWZDDDYTLBT-DQEYMECFSA-N 3 2 392.591 4.192 20 0 GIADLP C[NH+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000411577862 823589049 /nfs/dbraw/zinc/58/90/49/823589049.db2.gz ARWMWZDDDYTLBT-DQEYMECFSA-N 3 2 392.591 4.192 20 0 GIADLP C[NH+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000411577862 823589052 /nfs/dbraw/zinc/58/90/52/823589052.db2.gz ARWMWZDDDYTLBT-DQEYMECFSA-N 3 2 392.591 4.192 20 0 GIADLP CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124524171 823603336 /nfs/dbraw/zinc/60/33/36/823603336.db2.gz MFBHHNFQXDCRIO-RPWUZVMVSA-N 2 2 393.575 4.249 20 0 GIADLP CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124524171 823603339 /nfs/dbraw/zinc/60/33/39/823603339.db2.gz MFBHHNFQXDCRIO-RPWUZVMVSA-N 2 2 393.575 4.249 20 0 GIADLP CCc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124619713 823611634 /nfs/dbraw/zinc/61/16/34/823611634.db2.gz FDRSJGDAOKUISJ-VQTJNVASSA-N 2 2 391.625 4.028 20 0 GIADLP CCc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000124619713 823611635 /nfs/dbraw/zinc/61/16/35/823611635.db2.gz FDRSJGDAOKUISJ-VQTJNVASSA-N 2 2 391.625 4.028 20 0 GIADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000062427017 823635140 /nfs/dbraw/zinc/63/51/40/823635140.db2.gz SFLNCLVDCTVBEJ-INIZCTEOSA-N 2 2 395.378 4.367 20 0 GIADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000062427017 823635143 /nfs/dbraw/zinc/63/51/43/823635143.db2.gz SFLNCLVDCTVBEJ-INIZCTEOSA-N 2 2 395.378 4.367 20 0 GIADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c(F)c1 ZINC000412561754 823662540 /nfs/dbraw/zinc/66/25/40/823662540.db2.gz VBGSBFZWCGZXFU-SFHVURJKSA-N 2 2 398.526 4.333 20 0 GIADLP COc1ccc2c(c1)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCS2 ZINC000191492942 823691035 /nfs/dbraw/zinc/69/10/35/823691035.db2.gz VLTOXUPWXCFZSI-HXUWFJFHSA-N 2 2 379.529 4.309 20 0 GIADLP CC(C)c1[nH+]c(CNc2cccc([C@H](C)[NH+]3CCOCC3)c2)c2ccccn21 ZINC000574404351 823720801 /nfs/dbraw/zinc/72/08/01/823720801.db2.gz NPKUPSKEZMQJNP-SFHVURJKSA-N 2 2 378.520 4.463 20 0 GIADLP Clc1sc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC000191692219 823736077 /nfs/dbraw/zinc/73/60/77/823736077.db2.gz GYKANDQTUMPOPJ-UHFFFAOYSA-N 2 2 386.746 4.318 20 0 GIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000163692240 823738141 /nfs/dbraw/zinc/73/81/41/823738141.db2.gz IIKBCTRSRBXNEE-KRWDZBQOSA-N 2 2 390.474 4.279 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000163757619 823746024 /nfs/dbraw/zinc/74/60/24/823746024.db2.gz ORLSTTYHDZDATA-MRXNPFEDSA-N 2 2 394.437 4.268 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(OC(F)(F)F)c1 ZINC000163757254 823746150 /nfs/dbraw/zinc/74/61/50/823746150.db2.gz RZRKAIJNQUMGCI-INIZCTEOSA-N 2 2 394.437 4.268 20 0 GIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000192097810 823858904 /nfs/dbraw/zinc/85/89/04/823858904.db2.gz IBIJHQXTNLOZIA-UHFFFAOYSA-N 2 2 392.478 4.171 20 0 GIADLP CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192111087 823863734 /nfs/dbraw/zinc/86/37/34/823863734.db2.gz IZNWVGCMSAUMJF-UHFFFAOYSA-N 2 2 376.504 4.258 20 0 GIADLP CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192111087 823863744 /nfs/dbraw/zinc/86/37/44/823863744.db2.gz IZNWVGCMSAUMJF-UHFFFAOYSA-N 2 2 376.504 4.258 20 0 GIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)[nH+]1 ZINC000166106173 823870001 /nfs/dbraw/zinc/87/00/01/823870001.db2.gz NUAAYNZMNMMTNU-GGAORHGYSA-N 2 2 375.516 4.231 20 0 GIADLP C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126693618 823929120 /nfs/dbraw/zinc/92/91/20/823929120.db2.gz SVKALAYZBPJSFC-LSDHHAIUSA-N 2 2 376.907 4.038 20 0 GIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414245975 823939734 /nfs/dbraw/zinc/93/97/34/823939734.db2.gz UEBOIWVXGNODDW-LAUBAEHRSA-N 2 2 385.502 4.282 20 0 GIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414245975 823939740 /nfs/dbraw/zinc/93/97/40/823939740.db2.gz UEBOIWVXGNODDW-LAUBAEHRSA-N 2 2 385.502 4.282 20 0 GIADLP C[NH+](C)C1CCN(c2ccc(NCc3sccc3Br)[nH+]c2)CC1 ZINC000462408596 823963607 /nfs/dbraw/zinc/96/36/07/823963607.db2.gz JVRFWGFSVGOXDX-UHFFFAOYSA-N 2 2 395.370 4.048 20 0 GIADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000359994431 206276726 /nfs/dbraw/zinc/27/67/26/206276726.db2.gz BMGOROQQRIOKNT-PXNSSMCTSA-N 3 2 383.502 4.046 20 0 GIADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000359994431 206276730 /nfs/dbraw/zinc/27/67/30/206276730.db2.gz BMGOROQQRIOKNT-PXNSSMCTSA-N 3 2 383.502 4.046 20 0 GIADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838519 720548036 /nfs/dbraw/zinc/54/80/36/720548036.db2.gz OGXWREKRIWFRHZ-MIZPHKNDSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838519 720548044 /nfs/dbraw/zinc/54/80/44/720548044.db2.gz OGXWREKRIWFRHZ-MIZPHKNDSA-N 2 2 389.547 4.118 20 0 GIADLP CSCc1cc[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841667 720722636 /nfs/dbraw/zinc/72/26/36/720722636.db2.gz VLQHGVRSBWPFAS-NRFANRHFSA-N 2 2 397.588 4.205 20 0 GIADLP CSCc1cc[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841667 720722643 /nfs/dbraw/zinc/72/26/43/720722643.db2.gz VLQHGVRSBWPFAS-NRFANRHFSA-N 2 2 397.588 4.205 20 0 GIADLP Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)[nH+]c2c(C)cccc12 ZINC001164859873 720927633 /nfs/dbraw/zinc/92/76/33/720927633.db2.gz QHEZDAOHJNRWQV-GOSISDBHSA-N 2 2 377.536 4.470 20 0 GIADLP Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)[nH+]c2c(C)cccc12 ZINC001164859873 720927639 /nfs/dbraw/zinc/92/76/39/720927639.db2.gz QHEZDAOHJNRWQV-GOSISDBHSA-N 2 2 377.536 4.470 20 0 GIADLP COc1cc2cc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2cc1F ZINC001164861042 721018700 /nfs/dbraw/zinc/01/87/00/721018700.db2.gz NDBZEJWURPSLKQ-OAHLLOKOSA-N 2 2 397.498 4.000 20 0 GIADLP COc1cc2cc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2cc1F ZINC001164861042 721018709 /nfs/dbraw/zinc/01/87/09/721018709.db2.gz NDBZEJWURPSLKQ-OAHLLOKOSA-N 2 2 397.498 4.000 20 0 GIADLP Cc1cccc2cc[nH+]c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164906518 721560592 /nfs/dbraw/zinc/56/05/92/721560592.db2.gz JRVUNEHZCKBGNQ-FPOVZHCZSA-N 2 2 377.463 4.024 20 0 GIADLP Cc1cccc2cc[nH+]c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164906518 721560599 /nfs/dbraw/zinc/56/05/99/721560599.db2.gz JRVUNEHZCKBGNQ-FPOVZHCZSA-N 2 2 377.463 4.024 20 0 GIADLP CC(C)Oc1cc[nH+]c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164908963 721756439 /nfs/dbraw/zinc/75/64/39/721756439.db2.gz AGGRFHFGYUCPAK-UHFFFAOYSA-N 2 2 392.503 4.052 20 0 GIADLP CC(C)Oc1cc[nH+]c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164908963 721756444 /nfs/dbraw/zinc/75/64/44/721756444.db2.gz AGGRFHFGYUCPAK-UHFFFAOYSA-N 2 2 392.503 4.052 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001165019923 721825813 /nfs/dbraw/zinc/82/58/13/721825813.db2.gz CNDXLMZVNVOPLL-SESVDKBCSA-N 2 2 393.579 4.214 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001165019923 721825814 /nfs/dbraw/zinc/82/58/14/721825814.db2.gz CNDXLMZVNVOPLL-SESVDKBCSA-N 2 2 393.579 4.214 20 0 GIADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000570587838 823058317 /nfs/dbraw/zinc/05/83/17/823058317.db2.gz RMYHRUQBQPLRJG-AWEZNQCLSA-N 2 2 394.382 4.393 20 0 GIADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000570587838 823058322 /nfs/dbraw/zinc/05/83/22/823058322.db2.gz RMYHRUQBQPLRJG-AWEZNQCLSA-N 2 2 394.382 4.393 20 0 GIADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000056042520 823081462 /nfs/dbraw/zinc/08/14/62/823081462.db2.gz WIYKHDZWPMGZPO-UHFFFAOYSA-N 2 2 388.515 4.212 20 0 GIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000571033875 823122857 /nfs/dbraw/zinc/12/28/57/823122857.db2.gz CIEVFBHFJGMCJH-UHFFFAOYSA-N 2 2 391.544 4.379 20 0 GIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000571033875 823122860 /nfs/dbraw/zinc/12/28/60/823122860.db2.gz CIEVFBHFJGMCJH-UHFFFAOYSA-N 2 2 391.544 4.379 20 0 GIADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCc4[nH+]c[nH]c4C2)CCC3)cc1 ZINC000571211741 823149406 /nfs/dbraw/zinc/14/94/06/823149406.db2.gz CYPVHGLSGSPISJ-WMLDXEAASA-N 2 2 380.517 4.066 20 0 GIADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000121339346 823165889 /nfs/dbraw/zinc/16/58/89/823165889.db2.gz MMRKXRDBVOARSD-SFHVURJKSA-N 2 2 396.510 4.312 20 0 GIADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000121339346 823165891 /nfs/dbraw/zinc/16/58/91/823165891.db2.gz MMRKXRDBVOARSD-SFHVURJKSA-N 2 2 396.510 4.312 20 0 GIADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000121339346 823165893 /nfs/dbraw/zinc/16/58/93/823165893.db2.gz MMRKXRDBVOARSD-SFHVURJKSA-N 2 2 396.510 4.312 20 0 GIADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000121339346 823165896 /nfs/dbraw/zinc/16/58/96/823165896.db2.gz MMRKXRDBVOARSD-SFHVURJKSA-N 2 2 396.510 4.312 20 0 GIADLP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000121363506 823170616 /nfs/dbraw/zinc/17/06/16/823170616.db2.gz ALRDGLALXNQCMM-INIZCTEOSA-N 2 2 375.463 4.263 20 0 GIADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000459363670 823172846 /nfs/dbraw/zinc/17/28/46/823172846.db2.gz IYGDLVIOZLSVCI-UHFFFAOYSA-N 2 2 377.517 4.116 20 0 GIADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)[C@@H](C[NH3+])C1 ZINC000571403541 823178152 /nfs/dbraw/zinc/17/81/52/823178152.db2.gz LFQCBHGQHNRRFF-CVEARBPZSA-N 2 2 384.467 4.372 20 0 GIADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)[C@@H](C[NH3+])C1 ZINC000571403541 823178154 /nfs/dbraw/zinc/17/81/54/823178154.db2.gz LFQCBHGQHNRRFF-CVEARBPZSA-N 2 2 384.467 4.372 20 0 GIADLP FC(F)(F)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000459636856 823234922 /nfs/dbraw/zinc/23/49/22/823234922.db2.gz AYDRWBKZEPHANQ-GOSISDBHSA-N 2 2 379.426 4.053 20 0 GIADLP FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000459636856 823234923 /nfs/dbraw/zinc/23/49/23/823234923.db2.gz AYDRWBKZEPHANQ-GOSISDBHSA-N 2 2 379.426 4.053 20 0 GIADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000121807932 823255440 /nfs/dbraw/zinc/25/54/40/823255440.db2.gz GQJQETVWYNWJDQ-XMMPIXPASA-N 2 2 385.596 4.058 20 0 GIADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000121807932 823255444 /nfs/dbraw/zinc/25/54/44/823255444.db2.gz GQJQETVWYNWJDQ-XMMPIXPASA-N 2 2 385.596 4.058 20 0 GIADLP Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000459729071 823257544 /nfs/dbraw/zinc/25/75/44/823257544.db2.gz GEZAUWAPAFMUJI-FQUZAXHOSA-N 2 2 393.550 4.010 20 0 GIADLP Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000459729071 823257548 /nfs/dbraw/zinc/25/75/48/823257548.db2.gz GEZAUWAPAFMUJI-FQUZAXHOSA-N 2 2 393.550 4.010 20 0 GIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N(C)[C@H](C)c3ccccc3)C2)s1 ZINC000572124694 823286879 /nfs/dbraw/zinc/28/68/79/823286879.db2.gz ASYMGJPCCGXXDV-WOJBJXKFSA-N 2 2 399.604 4.030 20 0 GIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N(C)[C@H](C)c3ccccc3)C2)s1 ZINC000572124694 823286881 /nfs/dbraw/zinc/28/68/81/823286881.db2.gz ASYMGJPCCGXXDV-WOJBJXKFSA-N 2 2 399.604 4.030 20 0 GIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)[C@H](C)c3ccccc3)C2)s1 ZINC000572124694 823286882 /nfs/dbraw/zinc/28/68/82/823286882.db2.gz ASYMGJPCCGXXDV-WOJBJXKFSA-N 2 2 399.604 4.030 20 0 GIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)[C@H](C)c3ccccc3)C2)s1 ZINC000572124694 823286884 /nfs/dbraw/zinc/28/68/84/823286884.db2.gz ASYMGJPCCGXXDV-WOJBJXKFSA-N 2 2 399.604 4.030 20 0 GIADLP C[NH+](C)[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521296 823353255 /nfs/dbraw/zinc/35/32/55/823353255.db2.gz CLVDYUCEYIEBAI-XZOQPEGZSA-N 2 2 381.539 4.215 20 0 GIADLP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521296 823353261 /nfs/dbraw/zinc/35/32/61/823353261.db2.gz CLVDYUCEYIEBAI-XZOQPEGZSA-N 2 2 381.539 4.215 20 0 GIADLP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521296 823353267 /nfs/dbraw/zinc/35/32/67/823353267.db2.gz CLVDYUCEYIEBAI-XZOQPEGZSA-N 2 2 381.539 4.215 20 0 GIADLP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521296 823353270 /nfs/dbraw/zinc/35/32/70/823353270.db2.gz CLVDYUCEYIEBAI-XZOQPEGZSA-N 2 2 381.539 4.215 20 0 GIADLP CC[NH+](CC)Cc1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc1 ZINC000572680658 823381806 /nfs/dbraw/zinc/38/18/06/823381806.db2.gz VGIZJCRMMPOEAQ-UHFFFAOYSA-N 2 2 387.487 4.490 20 0 GIADLP Cc1ccc(OCCC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1C ZINC000177257510 823411649 /nfs/dbraw/zinc/41/16/49/823411649.db2.gz GKCPNWSDVUQCJE-UHFFFAOYSA-N 2 2 381.564 4.106 20 0 GIADLP Cc1ccc(OCCC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1C ZINC000177257510 823411652 /nfs/dbraw/zinc/41/16/52/823411652.db2.gz GKCPNWSDVUQCJE-UHFFFAOYSA-N 2 2 381.564 4.106 20 0 GIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000177806188 823528292 /nfs/dbraw/zinc/52/82/92/823528292.db2.gz LRTHUUNWURPLSS-GOSISDBHSA-N 2 2 387.487 4.036 20 0 GIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533159 821601135 /nfs/dbraw/zinc/60/11/35/821601135.db2.gz DBSXSPWPJZWTQO-NWDGAFQWSA-N 2 2 390.163 4.204 20 0 GIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533159 821601138 /nfs/dbraw/zinc/60/11/38/821601138.db2.gz DBSXSPWPJZWTQO-NWDGAFQWSA-N 2 2 390.163 4.204 20 0 GIADLP C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181070885 821618356 /nfs/dbraw/zinc/61/83/56/821618356.db2.gz FZOXEKZCEWWQRU-LBPRGKRZSA-N 2 2 380.279 4.323 20 0 GIADLP C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181070885 821618367 /nfs/dbraw/zinc/61/83/67/821618367.db2.gz FZOXEKZCEWWQRU-LBPRGKRZSA-N 2 2 380.279 4.323 20 0 GIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000181590060 821892914 /nfs/dbraw/zinc/89/29/14/821892914.db2.gz LNRYBTSRDFAMPK-RBUKOAKNSA-N 2 2 392.547 4.085 20 0 GIADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000181592194 821893959 /nfs/dbraw/zinc/89/39/59/821893959.db2.gz OQIURBQESQZGRA-OAHLLOKOSA-N 2 2 384.911 4.084 20 0 GIADLP C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1cccc2ccccc21 ZINC000181650692 821923062 /nfs/dbraw/zinc/92/30/62/821923062.db2.gz TZIZNAVCSCUTFS-INIZCTEOSA-N 2 2 394.544 4.181 20 0 GIADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000181660342 821928371 /nfs/dbraw/zinc/92/83/71/821928371.db2.gz BBUMKYGTOMAHRV-AWEZNQCLSA-N 2 2 395.341 4.347 20 0 GIADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000182100054 822093601 /nfs/dbraw/zinc/09/36/01/822093601.db2.gz YBDWKBDKRSDAGZ-KRWDZBQOSA-N 2 2 380.536 4.031 20 0 GIADLP CCOc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCO2 ZINC000177968994 822261867 /nfs/dbraw/zinc/26/18/67/822261867.db2.gz GKZXVHMWULZUQS-HSZRJFAPSA-N 2 2 380.532 4.206 20 0 GIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178103184 822320414 /nfs/dbraw/zinc/32/04/14/822320414.db2.gz QDTONYTZRMFVCC-AVRDEDQJSA-N 2 2 395.547 4.037 20 0 GIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178103184 822320424 /nfs/dbraw/zinc/32/04/24/822320424.db2.gz QDTONYTZRMFVCC-AVRDEDQJSA-N 2 2 395.547 4.037 20 0 GIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000182671297 822346055 /nfs/dbraw/zinc/34/60/55/822346055.db2.gz GKKYNSMLDLMTTJ-UHFFFAOYSA-N 2 2 377.517 4.319 20 0 GIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000182671297 822346065 /nfs/dbraw/zinc/34/60/65/822346065.db2.gz GKKYNSMLDLMTTJ-UHFFFAOYSA-N 2 2 377.517 4.319 20 0 GIADLP C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178198862 822349955 /nfs/dbraw/zinc/34/99/55/822349955.db2.gz FDLQGOLFKMWHAY-IAGOWNOFSA-N 2 2 376.460 4.241 20 0 GIADLP C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183076617 822421403 /nfs/dbraw/zinc/42/14/03/822421403.db2.gz QFXHFJLYLLKUEP-IBGZPJMESA-N 2 2 390.531 4.250 20 0 GIADLP Brc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000180011594 822596211 /nfs/dbraw/zinc/59/62/11/822596211.db2.gz AFUQQKUAKXPNQL-HXUWFJFHSA-N 2 2 382.305 4.471 20 0 GIADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC3 ZINC000180068953 822608776 /nfs/dbraw/zinc/60/87/76/822608776.db2.gz NJBMYYHYYCWBPU-FQEVSTJZSA-N 2 2 384.527 4.411 20 0 GIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCO[C@@H]2CCCc3ccccc32)CC1 ZINC000180173451 822632365 /nfs/dbraw/zinc/63/23/65/822632365.db2.gz KROHVEKMYYEWNQ-HXUWFJFHSA-N 2 2 384.486 4.477 20 0 GIADLP Cc1ccc([C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180266548 822651203 /nfs/dbraw/zinc/65/12/03/822651203.db2.gz YDIULQQNOQAXEV-DEOSSOPVSA-N 2 2 386.543 4.021 20 0 GIADLP Cc1cc(C)c(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c(C)[nH+]1 ZINC000455533006 822671386 /nfs/dbraw/zinc/67/13/86/822671386.db2.gz SYFAFOMUQIYUNV-FQEVSTJZSA-N 2 2 384.524 4.218 20 0 GIADLP Cc1cc([C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccccc2Cl)ccc1F ZINC000180464327 822686850 /nfs/dbraw/zinc/68/68/50/822686850.db2.gz CAHRULRILCBTKC-VGSWGCGISA-N 2 2 389.946 4.102 20 0 GIADLP Cc1cc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)ccc1F ZINC000180496944 822691227 /nfs/dbraw/zinc/69/12/27/822691227.db2.gz BRFPDNHVMBBNBO-VGSWGCGISA-N 2 2 389.946 4.102 20 0 GIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C4CCCCC4)cc3)CC2)CC1 ZINC000050802631 822739083 /nfs/dbraw/zinc/73/90/83/822739083.db2.gz DOYOHGIWKXJHSN-UHFFFAOYSA-N 2 2 383.580 4.023 20 0 GIADLP CCO[C@H](C)c1nc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000174389768 822782432 /nfs/dbraw/zinc/78/24/32/822782432.db2.gz FQQQPCJKHDOXGB-QGZVFWFLSA-N 2 2 388.581 4.374 20 0 GIADLP CCO[C@H](C)c1nc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000174389768 822782434 /nfs/dbraw/zinc/78/24/34/822782434.db2.gz FQQQPCJKHDOXGB-QGZVFWFLSA-N 2 2 388.581 4.374 20 0 GIADLP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000174409559 822786397 /nfs/dbraw/zinc/78/63/97/822786397.db2.gz BZFASFGPEAHTTK-HXUWFJFHSA-N 2 2 397.906 4.373 20 0 GIADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)cn2c1 ZINC000456253556 822790333 /nfs/dbraw/zinc/79/03/33/822790333.db2.gz BIETVGUPUVCNQH-FQEVSTJZSA-N 2 2 394.544 4.064 20 0 GIADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]CCn1cc[nH+]c1C ZINC000052120086 822790965 /nfs/dbraw/zinc/79/09/65/822790965.db2.gz YKRIXZDEWCYEGB-UHFFFAOYSA-N 2 2 397.832 4.148 20 0 GIADLP CC(C)c1ccc(-c2nc(C[N@H+](C)CCCN3CC[NH+](C)CC3)cs2)cc1 ZINC000174721593 822828398 /nfs/dbraw/zinc/82/83/98/822828398.db2.gz XUCUMZFSZHHQLO-UHFFFAOYSA-N 2 2 386.609 4.003 20 0 GIADLP CC(C)c1ccc(-c2nc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)cs2)cc1 ZINC000174721593 822828400 /nfs/dbraw/zinc/82/84/00/822828400.db2.gz XUCUMZFSZHHQLO-UHFFFAOYSA-N 2 2 386.609 4.003 20 0 GIADLP CCc1noc(C2CCC([NH2+]C[C@@H](C3CC3)[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000186875513 822972624 /nfs/dbraw/zinc/97/26/24/822972624.db2.gz DMFJAXCFFPPSBN-CBNMVNINSA-N 2 2 382.552 4.158 20 0 GIADLP CCc1noc(C2CCC([NH2+]C[C@@H](C3CC3)[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000186875513 822972628 /nfs/dbraw/zinc/97/26/28/822972628.db2.gz DMFJAXCFFPPSBN-CBNMVNINSA-N 2 2 382.552 4.158 20 0 GIADLP Clc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(-n3cccn3)c2)c1 ZINC000569857942 822976862 /nfs/dbraw/zinc/97/68/62/822976862.db2.gz WUNQFWVFMPFRGX-UHFFFAOYSA-N 2 2 391.906 4.425 20 0 GIADLP Clc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(-n3cccn3)c2)c1 ZINC000569857942 822976865 /nfs/dbraw/zinc/97/68/65/822976865.db2.gz WUNQFWVFMPFRGX-UHFFFAOYSA-N 2 2 391.906 4.425 20 0 GIADLP Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1O ZINC000187006042 822995953 /nfs/dbraw/zinc/99/59/53/822995953.db2.gz VBPAOXCWXXJSNZ-CQSZACIVSA-N 2 2 390.325 4.178 20 0 GIADLP Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1O ZINC000187055238 823004519 /nfs/dbraw/zinc/00/45/19/823004519.db2.gz BIYWZFGUCMMVIL-AWEZNQCLSA-N 2 2 386.293 4.500 20 0 GIADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ncc(Br)cc1F ZINC000187209307 823025314 /nfs/dbraw/zinc/02/53/14/823025314.db2.gz HNNBODSNCYYJGL-LLVKDONJSA-N 2 2 384.268 4.035 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000177913304 823545687 /nfs/dbraw/zinc/54/56/87/823545687.db2.gz ZESODINNIZNGTA-XXBNENTESA-N 2 2 375.516 4.114 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000177913304 823545689 /nfs/dbraw/zinc/54/56/89/823545689.db2.gz ZESODINNIZNGTA-XXBNENTESA-N 2 2 375.516 4.114 20 0 GIADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000061003064 823572195 /nfs/dbraw/zinc/57/21/95/823572195.db2.gz DDAVKJZBJJALMT-UHFFFAOYSA-N 2 2 385.515 4.283 20 0 GIADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124331561 823587998 /nfs/dbraw/zinc/58/79/98/823587998.db2.gz DSILTZFYRCHEPK-QFIPXVFZSA-N 2 2 376.504 4.202 20 0 GIADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124331561 823588002 /nfs/dbraw/zinc/58/80/02/823588002.db2.gz DSILTZFYRCHEPK-QFIPXVFZSA-N 2 2 376.504 4.202 20 0 GIADLP OC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cccc(Cl)c1F ZINC000411670560 823596224 /nfs/dbraw/zinc/59/62/24/823596224.db2.gz KYGTXNXUBRTCKL-FQEVSTJZSA-N 2 2 376.903 4.288 20 0 GIADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c(F)c1 ZINC000412561753 823662554 /nfs/dbraw/zinc/66/25/54/823662554.db2.gz VBGSBFZWCGZXFU-GOSISDBHSA-N 2 2 398.526 4.333 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000191497737 823691588 /nfs/dbraw/zinc/69/15/88/823691588.db2.gz FFKISEILRFSKOO-UHFFFAOYSA-N 2 2 383.323 4.103 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000191497737 823691589 /nfs/dbraw/zinc/69/15/89/823691589.db2.gz FFKISEILRFSKOO-UHFFFAOYSA-N 2 2 383.323 4.103 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1OC(F)(F)F ZINC000163694202 823738186 /nfs/dbraw/zinc/73/81/86/823738186.db2.gz LYPZIYZRSLMLPI-INIZCTEOSA-N 2 2 394.437 4.268 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)c1nc2ccccc2s1 ZINC000163721951 823741540 /nfs/dbraw/zinc/74/15/40/823741540.db2.gz RRKHFQCNSMTPEM-QZTJIDSGSA-N 2 2 395.572 4.410 20 0 GIADLP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1SC ZINC000163737553 823743973 /nfs/dbraw/zinc/74/39/73/823743973.db2.gz VHHZGLNHXJYNNA-QGZVFWFLSA-N 2 2 386.561 4.100 20 0 GIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163902323 823758724 /nfs/dbraw/zinc/75/87/24/823758724.db2.gz KSSYCDYHWFDLCZ-OAHLLOKOSA-N 2 2 376.342 4.161 20 0 GIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163902323 823758732 /nfs/dbraw/zinc/75/87/32/823758732.db2.gz KSSYCDYHWFDLCZ-OAHLLOKOSA-N 2 2 376.342 4.161 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nccn2CCc2ccccc2)cc1 ZINC000164281015 823792541 /nfs/dbraw/zinc/79/25/41/823792541.db2.gz GMVVSKRYWUEGDT-IBGZPJMESA-N 2 2 385.515 4.471 20 0 GIADLP CCC[NH+]1CCC([NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000462111932 823831430 /nfs/dbraw/zinc/83/14/30/823831430.db2.gz NFQUAQPDNICFTE-JOCHJYFZSA-N 2 2 380.511 4.381 20 0 GIADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165561785 823853655 /nfs/dbraw/zinc/85/36/55/823853655.db2.gz WAUMJAWNJRGPNS-UMEGOILYSA-N 3 2 388.559 4.417 20 0 GIADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165561785 823853660 /nfs/dbraw/zinc/85/36/60/823853660.db2.gz WAUMJAWNJRGPNS-UMEGOILYSA-N 3 2 388.559 4.417 20 0 GIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)[nH+]1 ZINC000166106284 823870119 /nfs/dbraw/zinc/87/01/19/823870119.db2.gz NUAAYNZMNMMTNU-FYYLOGMGSA-N 2 2 375.516 4.231 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cn1 ZINC000126498482 823884805 /nfs/dbraw/zinc/88/48/05/823884805.db2.gz YAKQRKGWWVREKP-ZDUSSCGKSA-N 2 2 376.382 4.325 20 0 GIADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000414057067 823897298 /nfs/dbraw/zinc/89/72/98/823897298.db2.gz FDQTZMFUSSKCLZ-INIZCTEOSA-N 2 2 387.549 4.012 20 0 GIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1csc(-c2ccccc2)n1 ZINC000414065001 823899140 /nfs/dbraw/zinc/89/91/40/823899140.db2.gz OARKOLUKLWSVOZ-GOSISDBHSA-N 2 2 393.556 4.493 20 0 GIADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000126672415 823923814 /nfs/dbraw/zinc/92/38/14/823923814.db2.gz GTHCFVJFHYTGMZ-HUUCEWRRSA-N 2 2 377.454 4.268 20 0 GIADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414806516 824037859 /nfs/dbraw/zinc/03/78/59/824037859.db2.gz ZLDOHINVZARVGP-SFHVURJKSA-N 2 2 380.319 4.319 20 0 GIADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)c(C)c1 ZINC000414941215 824052205 /nfs/dbraw/zinc/05/22/05/824052205.db2.gz LBSWTKZCOSSBOC-MBSDFSHPSA-N 2 2 375.516 4.463 20 0 GIADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3cc(F)cc4cccnc43)[C@H](C)C2)s1 ZINC000359865946 206265972 /nfs/dbraw/zinc/26/59/72/206265972.db2.gz FEQRTASVAKEUIL-VLIAUNLRSA-N 2 2 384.524 4.139 20 0 GIADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3cc(F)cc4cccnc43)[C@H](C)C2)s1 ZINC000359865946 206265976 /nfs/dbraw/zinc/26/59/76/206265976.db2.gz FEQRTASVAKEUIL-VLIAUNLRSA-N 2 2 384.524 4.139 20 0 GIADLP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCO[C@@H]3c3ccncc3)CC2)cc1 ZINC000275550370 570696125 /nfs/dbraw/zinc/69/61/25/570696125.db2.gz NGINUZYHCUVPKV-FCHUYYIVSA-N 2 2 385.939 4.209 20 0 GIADLP COc1ccc2c(C)cc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)[nH+]c2c1 ZINC001164858924 720977669 /nfs/dbraw/zinc/97/76/69/720977669.db2.gz JIBGZZKZTJEVPF-KRWDZBQOSA-N 2 2 393.535 4.170 20 0 GIADLP COc1ccc2c(C)cc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)[nH+]c2c1 ZINC001164858924 720977681 /nfs/dbraw/zinc/97/76/81/720977681.db2.gz JIBGZZKZTJEVPF-KRWDZBQOSA-N 2 2 393.535 4.170 20 0 GIADLP FC1(F)CCN(c2[nH+]ccc3ccccc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905617 721586081 /nfs/dbraw/zinc/58/60/81/721586081.db2.gz KGKMBTBLPJQWQJ-JOCHJYFZSA-N 2 2 394.469 4.368 20 0 GIADLP FC1(F)CCN(c2[nH+]ccc3ccccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905617 721586083 /nfs/dbraw/zinc/58/60/83/721586083.db2.gz KGKMBTBLPJQWQJ-JOCHJYFZSA-N 2 2 394.469 4.368 20 0 GIADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C(C)C)[nH+]c(C)n4)CC3)C2)cc1 ZINC001164938301 721920822 /nfs/dbraw/zinc/92/08/22/721920822.db2.gz KVKMRZZFLZRQJV-UHFFFAOYSA-N 2 2 394.563 4.088 20 0 GIADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C(C)C)[nH+]c(C)n4)CC3)C2)cc1 ZINC001164938301 721920825 /nfs/dbraw/zinc/92/08/25/721920825.db2.gz KVKMRZZFLZRQJV-UHFFFAOYSA-N 2 2 394.563 4.088 20 0 GIADLP Cc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164995009 722209199 /nfs/dbraw/zinc/20/91/99/722209199.db2.gz KJTOBRNJTWSPAL-HSZRJFAPSA-N 2 2 382.527 4.467 20 0 GIADLP Cc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164995009 722209204 /nfs/dbraw/zinc/20/92/04/722209204.db2.gz KJTOBRNJTWSPAL-HSZRJFAPSA-N 2 2 382.527 4.467 20 0 GIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000056156214 823091693 /nfs/dbraw/zinc/09/16/93/823091693.db2.gz KQCXFBJWEKWODA-DVECYGJZSA-N 2 2 391.559 4.171 20 0 GIADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000056156214 823091698 /nfs/dbraw/zinc/09/16/98/823091698.db2.gz KQCXFBJWEKWODA-DVECYGJZSA-N 2 2 391.559 4.171 20 0 GIADLP COc1cccc(C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C2CC2)c1 ZINC000121021979 823104207 /nfs/dbraw/zinc/10/42/07/823104207.db2.gz PBAQQMXOZUGBHK-QHCPKHFHSA-N 2 2 375.516 4.093 20 0 GIADLP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000187711169 823118202 /nfs/dbraw/zinc/11/82/02/823118202.db2.gz NVDXSCXRWZEVPR-OALUTQOASA-N 2 2 392.609 4.128 20 0 GIADLP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000187711169 823118203 /nfs/dbraw/zinc/11/82/03/823118203.db2.gz NVDXSCXRWZEVPR-OALUTQOASA-N 2 2 392.609 4.128 20 0 GIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000121249644 823147504 /nfs/dbraw/zinc/14/75/04/823147504.db2.gz SJOUDHYZOBPTHX-MRXNPFEDSA-N 2 2 385.533 4.020 20 0 GIADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341411 823165106 /nfs/dbraw/zinc/16/51/06/823165106.db2.gz WFDAXRYMRIACQZ-AVKJRPAMSA-N 2 2 394.559 4.056 20 0 GIADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341411 823165107 /nfs/dbraw/zinc/16/51/07/823165107.db2.gz WFDAXRYMRIACQZ-AVKJRPAMSA-N 2 2 394.559 4.056 20 0 GIADLP Oc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1Br ZINC000459462740 823197234 /nfs/dbraw/zinc/19/72/34/823197234.db2.gz KDEQOFNFKGYPOM-UHFFFAOYSA-N 2 2 375.310 4.040 20 0 GIADLP CN(C(=O)c1cccc(C2CCC2)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409852691 823326546 /nfs/dbraw/zinc/32/65/46/823326546.db2.gz JTXVTNGXQOIEAB-RPWUZVMVSA-N 2 2 397.607 4.363 20 0 GIADLP CN(C(=O)c1cccc(C2CCC2)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409852691 823326556 /nfs/dbraw/zinc/32/65/56/823326556.db2.gz JTXVTNGXQOIEAB-RPWUZVMVSA-N 2 2 397.607 4.363 20 0 GIADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000122344637 823341573 /nfs/dbraw/zinc/34/15/73/823341573.db2.gz BIBCAHYIPQFBGP-KRWDZBQOSA-N 2 2 383.584 4.332 20 0 GIADLP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000176992627 823344901 /nfs/dbraw/zinc/34/49/01/823344901.db2.gz WITXDOFAQVVJEQ-NRFANRHFSA-N 2 2 392.971 4.394 20 0 GIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000572617812 823369956 /nfs/dbraw/zinc/36/99/56/823369956.db2.gz IRYNDTWAOZVRFT-LSDHHAIUSA-N 2 2 389.341 4.115 20 0 GIADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC000177310095 823428901 /nfs/dbraw/zinc/42/89/01/823428901.db2.gz NPXQQVYWTBYZPK-FQEVSTJZSA-N 2 2 393.575 4.010 20 0 GIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C)cc3Cl)CC2)cc1 ZINC000573212212 823466332 /nfs/dbraw/zinc/46/63/32/823466332.db2.gz ODXIYJYOWPQOTA-UHFFFAOYSA-N 2 2 385.939 4.361 20 0 GIADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccccc2OCc2ccncc2)c[nH+]1 ZINC000030651568 820658566 /nfs/dbraw/zinc/65/85/66/820658566.db2.gz QTPUFUSIJCBWPD-UHFFFAOYSA-N 2 2 384.483 4.195 20 0 GIADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc(OCc3ccncc3)cc2)c[nH+]1 ZINC000030651519 820658637 /nfs/dbraw/zinc/65/86/37/820658637.db2.gz DJRQTYYRMJRVLS-UHFFFAOYSA-N 2 2 384.483 4.195 20 0 GIADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2Br)CC1 ZINC000041661394 821216088 /nfs/dbraw/zinc/21/60/88/821216088.db2.gz UKQSPWXPXQYWTK-NSHDSACASA-N 2 2 390.163 4.347 20 0 GIADLP Cc1noc(C)c1C[NH+](C)Cc1ccc(C[N@H+](C)Cc2c(C)noc2C)cc1 ZINC000042132971 821272537 /nfs/dbraw/zinc/27/25/37/821272537.db2.gz VYPRVGZELXNMNX-UHFFFAOYSA-N 2 2 382.508 4.160 20 0 GIADLP Cc1noc(C)c1C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2c(C)noc2C)cc1 ZINC000042132971 821272544 /nfs/dbraw/zinc/27/25/44/821272544.db2.gz VYPRVGZELXNMNX-UHFFFAOYSA-N 2 2 382.508 4.160 20 0 GIADLP C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180671389 821390051 /nfs/dbraw/zinc/39/00/51/821390051.db2.gz XWCHBDCPPOABRZ-IPJUCJBFSA-N 2 2 384.524 4.359 20 0 GIADLP COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431906 821823354 /nfs/dbraw/zinc/82/33/54/821823354.db2.gz FATOSBCDZMBIHO-MBOZVWFJSA-N 2 2 387.593 4.344 20 0 GIADLP COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431906 821823366 /nfs/dbraw/zinc/82/33/66/821823366.db2.gz FATOSBCDZMBIHO-MBOZVWFJSA-N 2 2 387.593 4.344 20 0 GIADLP COc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(Br)c1 ZINC000181505345 821856978 /nfs/dbraw/zinc/85/69/78/821856978.db2.gz BGLKKWMOIVJHMW-AWEZNQCLSA-N 2 2 390.325 4.172 20 0 GIADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000182090025 822089154 /nfs/dbraw/zinc/08/91/54/822089154.db2.gz OVKRROLSOVDGPP-MOPGFXCFSA-N 2 2 395.547 4.196 20 0 GIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178198839 822349775 /nfs/dbraw/zinc/34/97/75/822349775.db2.gz FDLQGOLFKMWHAY-SJORKVTESA-N 2 2 376.460 4.241 20 0 GIADLP O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182888078 822386546 /nfs/dbraw/zinc/38/65/46/822386546.db2.gz MPRXYJPGPKFYGR-KRWDZBQOSA-N 2 2 381.307 4.073 20 0 GIADLP O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182888078 822386552 /nfs/dbraw/zinc/38/65/52/822386552.db2.gz MPRXYJPGPKFYGR-KRWDZBQOSA-N 2 2 381.307 4.073 20 0 GIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2sc(C)cc2Br)[C@H](C)C1 ZINC000453592372 822390195 /nfs/dbraw/zinc/39/01/95/822390195.db2.gz RCXIXUNJVHOZKS-CZUORRHYSA-N 2 2 389.403 4.046 20 0 GIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2sc(C)cc2Br)[C@H](C)C1 ZINC000453592372 822390198 /nfs/dbraw/zinc/39/01/98/822390198.db2.gz RCXIXUNJVHOZKS-CZUORRHYSA-N 2 2 389.403 4.046 20 0 GIADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000183537538 822491737 /nfs/dbraw/zinc/49/17/37/822491737.db2.gz GMWAQJKCFWEMCE-HKUYNNGSSA-N 2 2 384.524 4.313 20 0 GIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccc2nccn21 ZINC000179594304 822509161 /nfs/dbraw/zinc/50/91/61/822509161.db2.gz OIOBHNVKTKWCBZ-UHFFFAOYSA-N 2 2 389.503 4.022 20 0 GIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc2nccn21 ZINC000179594304 822509164 /nfs/dbraw/zinc/50/91/64/822509164.db2.gz OIOBHNVKTKWCBZ-UHFFFAOYSA-N 2 2 389.503 4.022 20 0 GIADLP Brc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000180009079 822595353 /nfs/dbraw/zinc/59/53/53/822595353.db2.gz BJMCJOVHAQJSDK-HXUWFJFHSA-N 2 2 382.305 4.471 20 0 GIADLP COc1ccccc1SC[C@H](C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000180171976 822631955 /nfs/dbraw/zinc/63/19/55/822631955.db2.gz GIQGYDPQDJEWSL-OAHLLOKOSA-N 2 2 390.515 4.430 20 0 GIADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000185133473 822741164 /nfs/dbraw/zinc/74/11/64/822741164.db2.gz PZDXIDCUJGETNP-UHFFFAOYSA-N 2 2 397.526 4.349 20 0 GIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000174294297 822765260 /nfs/dbraw/zinc/76/52/60/822765260.db2.gz DZFDPKWYSGUCPQ-LBPRGKRZSA-N 2 2 391.865 4.148 20 0 GIADLP CC[N@@H+](Cc1nccn1Cc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390105 822782402 /nfs/dbraw/zinc/78/24/02/822782402.db2.gz BTKAHHBVGRIBCB-UHFFFAOYSA-N 2 2 389.547 4.065 20 0 GIADLP CC[N@H+](Cc1nccn1Cc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390105 822782404 /nfs/dbraw/zinc/78/24/04/822782404.db2.gz BTKAHHBVGRIBCB-UHFFFAOYSA-N 2 2 389.547 4.065 20 0 GIADLP Cn1cc([C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c2ccccc2)cn1 ZINC000569891936 822981625 /nfs/dbraw/zinc/98/16/25/822981625.db2.gz HCZQSINOGNWJEI-WIOPSUGQSA-N 2 2 388.559 4.401 20 0 GIADLP Cn1cc([C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cn1 ZINC000569891936 822981626 /nfs/dbraw/zinc/98/16/26/822981626.db2.gz HCZQSINOGNWJEI-WIOPSUGQSA-N 2 2 388.559 4.401 20 0 GIADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000187125400 823014236 /nfs/dbraw/zinc/01/42/36/823014236.db2.gz DOLDKVMBZAMVJI-NFBKMPQASA-N 2 2 377.532 4.206 20 0 GIADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000187125400 823014240 /nfs/dbraw/zinc/01/42/40/823014240.db2.gz DOLDKVMBZAMVJI-NFBKMPQASA-N 2 2 377.532 4.206 20 0 GIADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000187125400 823014244 /nfs/dbraw/zinc/01/42/44/823014244.db2.gz DOLDKVMBZAMVJI-NFBKMPQASA-N 2 2 377.532 4.206 20 0 GIADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000187125400 823014248 /nfs/dbraw/zinc/01/42/48/823014248.db2.gz DOLDKVMBZAMVJI-NFBKMPQASA-N 2 2 377.532 4.206 20 0 GIADLP COc1c(Br)cccc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000187271983 823034478 /nfs/dbraw/zinc/03/44/78/823034478.db2.gz AYUAPOILOHMUCU-CQSZACIVSA-N 2 2 386.293 4.494 20 0 GIADLP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411580271 823589212 /nfs/dbraw/zinc/58/92/12/823589212.db2.gz FZCQLEMVKVJODX-DQEYMECFSA-N 3 2 392.591 4.192 20 0 GIADLP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411580271 823589213 /nfs/dbraw/zinc/58/92/13/823589213.db2.gz FZCQLEMVKVJODX-DQEYMECFSA-N 3 2 392.591 4.192 20 0 GIADLP C[NH+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000411580271 823589214 /nfs/dbraw/zinc/58/92/14/823589214.db2.gz FZCQLEMVKVJODX-DQEYMECFSA-N 3 2 392.591 4.192 20 0 GIADLP C[NH+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000411580271 823589215 /nfs/dbraw/zinc/58/92/15/823589215.db2.gz FZCQLEMVKVJODX-DQEYMECFSA-N 3 2 392.591 4.192 20 0 GIADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(CSC(F)F)o3)c2)CCO1 ZINC000063524290 823677613 /nfs/dbraw/zinc/67/76/13/823677613.db2.gz AIDLMESZQKWEMV-HNNXBMFYSA-N 2 2 396.503 4.246 20 0 GIADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(CSC(F)F)o3)c2)CCO1 ZINC000063524290 823677615 /nfs/dbraw/zinc/67/76/15/823677615.db2.gz AIDLMESZQKWEMV-HNNXBMFYSA-N 2 2 396.503 4.246 20 0 GIADLP Clc1cccc2c1SCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163751702 823745656 /nfs/dbraw/zinc/74/56/56/823745656.db2.gz HKVWDZMDHAVYPH-FQEVSTJZSA-N 2 2 388.964 4.499 20 0 GIADLP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC[NH+](C)CC1 ZINC000165581816 823854296 /nfs/dbraw/zinc/85/42/96/823854296.db2.gz ACVFRBQYNCVXSK-FQEVSTJZSA-N 3 2 388.559 4.418 20 0 GIADLP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165581675 823854356 /nfs/dbraw/zinc/85/43/56/823854356.db2.gz QKZABIUZKBNNMT-DEOSSOPVSA-N 2 2 397.526 4.499 20 0 GIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000165990371 823868051 /nfs/dbraw/zinc/86/80/51/823868051.db2.gz IPVINDPFKSKHOW-KNQAVFIVSA-N 2 2 398.547 4.208 20 0 GIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000165990371 823868053 /nfs/dbraw/zinc/86/80/53/823868053.db2.gz IPVINDPFKSKHOW-KNQAVFIVSA-N 2 2 398.547 4.208 20 0 GIADLP COc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C(C)C)c(Br)c1 ZINC000574995007 823882044 /nfs/dbraw/zinc/88/20/44/823882044.db2.gz SLUSAWIBGXJZOI-KPZWWZAWSA-N 2 2 378.314 4.025 20 0 GIADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000414065019 823898974 /nfs/dbraw/zinc/89/89/74/823898974.db2.gz OCEWHRRFAKLXNE-HZPDHXFCSA-N 2 2 387.549 4.012 20 0 GIADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000414065019 823898983 /nfs/dbraw/zinc/89/89/83/823898983.db2.gz OCEWHRRFAKLXNE-HZPDHXFCSA-N 2 2 387.549 4.012 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)cn1 ZINC000126573268 823902656 /nfs/dbraw/zinc/90/26/56/823902656.db2.gz YKWSPHWZEVXPKO-JOCHJYFZSA-N 2 2 388.515 4.458 20 0 GIADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414963856 824054856 /nfs/dbraw/zinc/05/48/56/824054856.db2.gz DEWCXIUVHJHAKY-OAHLLOKOSA-N 2 2 380.355 4.050 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1F ZINC000359993919 206276708 /nfs/dbraw/zinc/27/67/08/206276708.db2.gz ABUNZSFTUFHYCY-AWEZNQCLSA-N 3 2 398.448 4.387 20 0 GIADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)[nH+]c(C(C)C)n2)CC3)cs1 ZINC001164691295 719813128 /nfs/dbraw/zinc/81/31/28/719813128.db2.gz DVAOIPDHCZHDOU-UHFFFAOYSA-N 2 2 385.581 4.308 20 0 GIADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)[nH+]c(C(C)C)n2)CC3)cs1 ZINC001164691295 719813129 /nfs/dbraw/zinc/81/31/29/719813129.db2.gz DVAOIPDHCZHDOU-UHFFFAOYSA-N 2 2 385.581 4.308 20 0 GIADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C3CCCCC3)[nH+]c(C)n1)C2 ZINC001164818098 720156802 /nfs/dbraw/zinc/15/68/02/720156802.db2.gz RTYLRMUSIIIWRT-URXFXBBRSA-N 2 2 398.595 4.017 20 0 GIADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C3CCCCC3)[nH+]c(C)n1)C2 ZINC001164818098 720156812 /nfs/dbraw/zinc/15/68/12/720156812.db2.gz RTYLRMUSIIIWRT-URXFXBBRSA-N 2 2 398.595 4.017 20 0 GIADLP CC(C)c1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]c1 ZINC001164840466 720694660 /nfs/dbraw/zinc/69/46/60/720694660.db2.gz FAWUYOKTHHJVAJ-QFIPXVFZSA-N 2 2 379.548 4.465 20 0 GIADLP CC(C)c1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]c1 ZINC001164840466 720694665 /nfs/dbraw/zinc/69/46/65/720694665.db2.gz FAWUYOKTHHJVAJ-QFIPXVFZSA-N 2 2 379.548 4.465 20 0 GIADLP Cc1cc2ccccc2c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)[nH+]1 ZINC001164903017 721544971 /nfs/dbraw/zinc/54/49/71/721544971.db2.gz BVBXAVPINILQOZ-CTNGQTDRSA-N 2 2 377.463 4.024 20 0 GIADLP Cc1cc2ccccc2c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)[nH+]1 ZINC001164903017 721544973 /nfs/dbraw/zinc/54/49/73/721544973.db2.gz BVBXAVPINILQOZ-CTNGQTDRSA-N 2 2 377.463 4.024 20 0 GIADLP CC(C)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]c1 ZINC001164905598 721708123 /nfs/dbraw/zinc/70/81/23/721708123.db2.gz HWDXELIFZNXPNY-NRFANRHFSA-N 2 2 386.490 4.338 20 0 GIADLP CC(C)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]c1 ZINC001164905598 721708126 /nfs/dbraw/zinc/70/81/26/721708126.db2.gz HWDXELIFZNXPNY-NRFANRHFSA-N 2 2 386.490 4.338 20 0 GIADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000459483086 823202011 /nfs/dbraw/zinc/20/20/11/823202011.db2.gz RJJXOTBUIGVHKZ-UHFFFAOYSA-N 2 2 375.303 4.367 20 0 GIADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000459483086 823202016 /nfs/dbraw/zinc/20/20/16/823202016.db2.gz RJJXOTBUIGVHKZ-UHFFFAOYSA-N 2 2 375.303 4.367 20 0 GIADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000459488781 823202903 /nfs/dbraw/zinc/20/29/03/823202903.db2.gz JLUKLYAVUODRGN-INIZCTEOSA-N 2 2 381.549 4.104 20 0 GIADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000459488781 823202906 /nfs/dbraw/zinc/20/29/06/823202906.db2.gz JLUKLYAVUODRGN-INIZCTEOSA-N 2 2 381.549 4.104 20 0 GIADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000121678316 823228889 /nfs/dbraw/zinc/22/88/89/823228889.db2.gz FTBCZRWITALUPT-KRWDZBQOSA-N 2 2 380.536 4.031 20 0 GIADLP CC[NH+](CC)[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000571928134 823255733 /nfs/dbraw/zinc/25/57/33/823255733.db2.gz BYLXVZMECWAXNJ-YJBOKZPZSA-N 2 2 396.457 4.052 20 0 GIADLP c1cc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)cc(C[NH+]2CCOCC2)c1 ZINC000121958009 823284528 /nfs/dbraw/zinc/28/45/28/823284528.db2.gz KRTYISYCZBYOEI-XMMPIXPASA-N 2 2 392.543 4.011 20 0 GIADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000572864807 823411226 /nfs/dbraw/zinc/41/12/26/823411226.db2.gz FXKLVSKFLDXXCD-IYHXRUFHSA-N 2 2 398.378 4.118 20 0 GIADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000572864807 823411228 /nfs/dbraw/zinc/41/12/28/823411228.db2.gz FXKLVSKFLDXXCD-IYHXRUFHSA-N 2 2 398.378 4.118 20 0 GIADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000030652066 820658544 /nfs/dbraw/zinc/65/85/44/820658544.db2.gz AMEXKMFLKHDBQC-UHFFFAOYSA-N 2 2 385.515 4.083 20 0 GIADLP C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911356 823512863 /nfs/dbraw/zinc/51/28/63/823512863.db2.gz LHWQNSJQXLENRU-IFXJQAMLSA-N 2 2 386.293 4.019 20 0 GIADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2Br)C1 ZINC000041651881 821215722 /nfs/dbraw/zinc/21/57/22/821215722.db2.gz ISGLRIQTWKEOIT-RYUDHWBXSA-N 2 2 390.163 4.204 20 0 GIADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2Br)C1 ZINC000041651881 821215728 /nfs/dbraw/zinc/21/57/28/821215728.db2.gz ISGLRIQTWKEOIT-RYUDHWBXSA-N 2 2 390.163 4.204 20 0 GIADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000042229138 821288877 /nfs/dbraw/zinc/28/88/77/821288877.db2.gz SVFKRPAXDZDYHY-AWEZNQCLSA-N 2 2 379.335 4.061 20 0 GIADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000042229138 821288887 /nfs/dbraw/zinc/28/88/87/821288887.db2.gz SVFKRPAXDZDYHY-AWEZNQCLSA-N 2 2 379.335 4.061 20 0 GIADLP c1cc(Oc2ccccc2)oc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000180798639 821464659 /nfs/dbraw/zinc/46/46/59/821464659.db2.gz GCMBOVKQCPHXGR-UHFFFAOYSA-N 2 2 378.472 4.194 20 0 GIADLP C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181008363 821590460 /nfs/dbraw/zinc/59/04/60/821590460.db2.gz QGVBWZHSCFFQKI-INIZCTEOSA-N 2 2 375.501 4.284 20 0 GIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2nc(C)c(C)s2)cc1 ZINC000181232798 821709739 /nfs/dbraw/zinc/70/97/39/821709739.db2.gz LGOFPJSRQKVDIE-UHFFFAOYSA-N 2 2 384.549 4.448 20 0 GIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2nc(C)c(C)s2)cc1 ZINC000181232798 821709747 /nfs/dbraw/zinc/70/97/47/821709747.db2.gz LGOFPJSRQKVDIE-UHFFFAOYSA-N 2 2 384.549 4.448 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1Br ZINC000181416112 821814197 /nfs/dbraw/zinc/81/41/97/821814197.db2.gz FGAYDOVUNPPUTF-BKTGTZMESA-N 2 2 399.348 4.007 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000181590039 821892662 /nfs/dbraw/zinc/89/26/62/821892662.db2.gz LNRYBTSRDFAMPK-OALUTQOASA-N 2 2 392.547 4.085 20 0 GIADLP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000182785765 822367355 /nfs/dbraw/zinc/36/73/55/822367355.db2.gz KQWKINKSNNANAO-MRXNPFEDSA-N 2 2 381.511 4.126 20 0 GIADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000183537504 822491767 /nfs/dbraw/zinc/49/17/67/822491767.db2.gz GMWAQJKCFWEMCE-PKOBYXMFSA-N 2 2 384.524 4.313 20 0 GIADLP Clc1ccccc1[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000179963628 822586704 /nfs/dbraw/zinc/58/67/04/822586704.db2.gz IUJKCCGFLQAMAY-NRFANRHFSA-N 2 2 383.879 4.077 20 0 GIADLP Brc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000180011581 822596192 /nfs/dbraw/zinc/59/61/92/822596192.db2.gz AFUQQKUAKXPNQL-FQEVSTJZSA-N 2 2 382.305 4.471 20 0 GIADLP Fc1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1Br ZINC000180160721 822629810 /nfs/dbraw/zinc/62/98/10/822629810.db2.gz HRGNGJWRHHWBRQ-UHFFFAOYSA-N 2 2 397.254 4.137 20 0 GIADLP Cc1cc(C)c(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)[nH+]1 ZINC000455513574 822669015 /nfs/dbraw/zinc/66/90/15/822669015.db2.gz JAKSVWOMEVZVGC-QHCPKHFHSA-N 2 2 378.520 4.137 20 0 GIADLP Cc1cc(C)c(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)[nH+]1 ZINC000455513574 822669018 /nfs/dbraw/zinc/66/90/18/822669018.db2.gz JAKSVWOMEVZVGC-QHCPKHFHSA-N 2 2 378.520 4.137 20 0 GIADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184955842 822718084 /nfs/dbraw/zinc/71/80/84/822718084.db2.gz PLJOXRBOTRGISQ-LBPRGKRZSA-N 2 2 377.311 4.120 20 0 GIADLP CCOc1ccccc1Oc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cn1 ZINC000185141378 822742064 /nfs/dbraw/zinc/74/20/64/822742064.db2.gz ASTXRYNMAOFZNQ-UHFFFAOYSA-N 2 2 378.476 4.023 20 0 GIADLP Cc1cc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc(C)[nH+]1 ZINC000570195991 823014179 /nfs/dbraw/zinc/01/41/79/823014179.db2.gz HYKGEFSQYONNDB-UHFFFAOYSA-N 2 2 380.536 4.074 20 0 GIADLP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+][C@@H](c3ccccc3)c3cncnc3)C2)cc1 ZINC000570205916 823015289 /nfs/dbraw/zinc/01/52/89/823015289.db2.gz ROYWWNGDMQWYSA-DHLKQENFSA-N 2 2 386.543 4.458 20 0 GIADLP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@@H](c3ccccc3)c3cncnc3)C2)cc1 ZINC000570205916 823015291 /nfs/dbraw/zinc/01/52/91/823015291.db2.gz ROYWWNGDMQWYSA-DHLKQENFSA-N 2 2 386.543 4.458 20 0 GIADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000411302557 823563552 /nfs/dbraw/zinc/56/35/52/823563552.db2.gz FWNJHZQVYCSCNV-ZSXJVMONSA-N 4 2 394.692 4.012 20 0 GIADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000411302557 823563553 /nfs/dbraw/zinc/56/35/53/823563553.db2.gz FWNJHZQVYCSCNV-ZSXJVMONSA-N 4 2 394.692 4.012 20 0 GIADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)C[C@H]1C ZINC000411302557 823563554 /nfs/dbraw/zinc/56/35/54/823563554.db2.gz FWNJHZQVYCSCNV-ZSXJVMONSA-N 4 2 394.692 4.012 20 0 GIADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)C[C@H]1C ZINC000411302557 823563555 /nfs/dbraw/zinc/56/35/55/823563555.db2.gz FWNJHZQVYCSCNV-ZSXJVMONSA-N 4 2 394.692 4.012 20 0 GIADLP Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]CCn1cc[nH+]c1 ZINC000061014638 823572886 /nfs/dbraw/zinc/57/28/86/823572886.db2.gz KGYQQBLEVGEVOI-UHFFFAOYSA-N 2 2 398.725 4.186 20 0 GIADLP Cn1cc([C@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)c2ccc(F)cc2)cn1 ZINC000411553594 823587767 /nfs/dbraw/zinc/58/77/67/823587767.db2.gz JHKGNVXVAYDOGF-XMMPIXPASA-N 2 2 392.522 4.424 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ncc(Br)cn1 ZINC000411760779 823603235 /nfs/dbraw/zinc/60/32/35/823603235.db2.gz STQDNQOHQIEARH-HNNXBMFYSA-N 2 2 389.341 4.076 20 0 GIADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000061556908 823603661 /nfs/dbraw/zinc/60/36/61/823603661.db2.gz BXQIAAFHBGLICG-UHFFFAOYSA-N 2 2 380.511 4.240 20 0 GIADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000061556908 823603663 /nfs/dbraw/zinc/60/36/63/823603663.db2.gz BXQIAAFHBGLICG-UHFFFAOYSA-N 2 2 380.511 4.240 20 0 GIADLP CCCCn1c(SC[C@H]2CCCC[N@@H+]2C(C)C)nnc1[C@H](CC)[NH+](C)C ZINC000412979823 823696532 /nfs/dbraw/zinc/69/65/32/823696532.db2.gz DCFUZHJYTNHQBM-MSOLQXFVSA-N 2 2 381.634 4.446 20 0 GIADLP CCCCn1c(SC[C@H]2CCCC[N@H+]2C(C)C)nnc1[C@H](CC)[NH+](C)C ZINC000412979823 823696534 /nfs/dbraw/zinc/69/65/34/823696534.db2.gz DCFUZHJYTNHQBM-MSOLQXFVSA-N 2 2 381.634 4.446 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1nc(-c2ccccc2)cs1 ZINC000163751052 823745034 /nfs/dbraw/zinc/74/50/34/823745034.db2.gz LOYVYRPYCCBTGZ-SFHVURJKSA-N 2 2 393.556 4.493 20 0 GIADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165561689 823853416 /nfs/dbraw/zinc/85/34/16/823853416.db2.gz WAUMJAWNJRGPNS-RNHFSVANSA-N 3 2 388.559 4.417 20 0 GIADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165561689 823853424 /nfs/dbraw/zinc/85/34/24/823853424.db2.gz WAUMJAWNJRGPNS-RNHFSVANSA-N 3 2 388.559 4.417 20 0 GIADLP COc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C(C)C)c(Br)c1 ZINC000574995008 823882131 /nfs/dbraw/zinc/88/21/31/823882131.db2.gz SLUSAWIBGXJZOI-KZULUSFZSA-N 2 2 378.314 4.025 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cn1 ZINC000126497281 823884149 /nfs/dbraw/zinc/88/41/49/823884149.db2.gz SCFCHYJOQAQZRJ-ZDUSSCGKSA-N 2 2 376.382 4.325 20 0 GIADLP Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000167200597 823888805 /nfs/dbraw/zinc/88/88/05/823888805.db2.gz QXSPCYLNTQLECJ-VQTJNVASSA-N 2 2 391.515 4.447 20 0 GIADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4nnc(C5CC5)s4)[C@@H]3C2)cc1 ZINC000414327553 823958825 /nfs/dbraw/zinc/95/88/25/823958825.db2.gz OSSDLRWMXRQLCF-XUVXKRRUSA-N 2 2 382.577 4.196 20 0 GIADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4nnc(C5CC5)s4)[C@@H]3C2)cc1 ZINC000414327553 823958831 /nfs/dbraw/zinc/95/88/31/823958831.db2.gz OSSDLRWMXRQLCF-XUVXKRRUSA-N 2 2 382.577 4.196 20 0 GIADLP Fc1cccc(Br)c1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000192465917 824001744 /nfs/dbraw/zinc/00/17/44/824001744.db2.gz GKKATTQQBGXINE-UHFFFAOYSA-N 2 2 388.284 4.165 20 0 GIADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414806515 824037906 /nfs/dbraw/zinc/03/79/06/824037906.db2.gz ZLDOHINVZARVGP-GOSISDBHSA-N 2 2 380.319 4.319 20 0 GIADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)c1C ZINC000414940126 824052267 /nfs/dbraw/zinc/05/22/67/824052267.db2.gz JXWWCEWIIQRTBV-SBUREZEXSA-N 2 2 375.516 4.463 20 0 GIADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)c1C ZINC000414940130 824052434 /nfs/dbraw/zinc/05/24/34/824052434.db2.gz JXWWCEWIIQRTBV-UZUQRXQVSA-N 2 2 375.516 4.463 20 0 GIADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c2ccccc12 ZINC001164843065 720538658 /nfs/dbraw/zinc/53/86/58/720538658.db2.gz ZUEHJIYPADYXEG-TXTKFYIRSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c2ccccc12 ZINC001164843065 720538665 /nfs/dbraw/zinc/53/86/65/720538665.db2.gz ZUEHJIYPADYXEG-TXTKFYIRSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001165019921 721826000 /nfs/dbraw/zinc/82/60/00/721826000.db2.gz CNDXLMZVNVOPLL-JBACZVJFSA-N 2 2 393.579 4.214 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001165019921 721826002 /nfs/dbraw/zinc/82/60/02/721826002.db2.gz CNDXLMZVNVOPLL-JBACZVJFSA-N 2 2 393.579 4.214 20 0 GIADLP CSCc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027009 721828831 /nfs/dbraw/zinc/82/88/31/721828831.db2.gz QSTZRGFWYFCULN-SESVDKBCSA-N 2 2 382.577 4.077 20 0 GIADLP CSCc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027009 721828833 /nfs/dbraw/zinc/82/88/33/721828833.db2.gz QSTZRGFWYFCULN-SESVDKBCSA-N 2 2 382.577 4.077 20 0 GIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]ccc3ccccc32)CC1 ZINC001165020523 721838622 /nfs/dbraw/zinc/83/86/22/721838622.db2.gz KHRUEFNPIOYSST-UHFFFAOYSA-N 2 2 391.515 4.353 20 0 GIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(C)nc2C)cc1 ZINC000187399774 823056076 /nfs/dbraw/zinc/05/60/76/823056076.db2.gz KSMHBPSXUQIIAJ-UHFFFAOYSA-N 2 2 378.520 4.386 20 0 GIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(C)nc2C)cc1 ZINC000187399774 823056081 /nfs/dbraw/zinc/05/60/81/823056081.db2.gz KSMHBPSXUQIIAJ-UHFFFAOYSA-N 2 2 378.520 4.386 20 0 GIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(Br)c1 ZINC000124347389 823589051 /nfs/dbraw/zinc/58/90/51/823589051.db2.gz XEAOVEKPWYTNFV-ZDUSSCGKSA-N 2 2 378.289 4.303 20 0 GIADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000175905811 823069053 /nfs/dbraw/zinc/06/90/53/823069053.db2.gz KIAWEOPLIGNLAM-UHFFFAOYSA-N 2 2 380.561 4.117 20 0 GIADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000056156215 823091507 /nfs/dbraw/zinc/09/15/07/823091507.db2.gz KQCXFBJWEKWODA-CYFREDJKSA-N 2 2 391.559 4.171 20 0 GIADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000056156215 823091512 /nfs/dbraw/zinc/09/15/12/823091512.db2.gz KQCXFBJWEKWODA-CYFREDJKSA-N 2 2 391.559 4.171 20 0 GIADLP CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459090433 823126538 /nfs/dbraw/zinc/12/65/38/823126538.db2.gz ZJYXXVFVQLYPQN-KNQAVFIVSA-N 2 2 380.536 4.065 20 0 GIADLP CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000459090433 823126544 /nfs/dbraw/zinc/12/65/44/823126544.db2.gz ZJYXXVFVQLYPQN-KNQAVFIVSA-N 2 2 380.536 4.065 20 0 GIADLP FC(F)(F)c1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000571248747 823155366 /nfs/dbraw/zinc/15/53/66/823155366.db2.gz UBWPJYNVFHVAFD-NSHDSACASA-N 2 2 377.248 4.042 20 0 GIADLP FC(F)(F)c1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000571248747 823155368 /nfs/dbraw/zinc/15/53/68/823155368.db2.gz UBWPJYNVFHVAFD-NSHDSACASA-N 2 2 377.248 4.042 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000121287026 823155395 /nfs/dbraw/zinc/15/53/95/823155395.db2.gz NBVVUVCCGLGZKT-INIZCTEOSA-N 2 2 385.533 4.020 20 0 GIADLP CC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000459303554 823158521 /nfs/dbraw/zinc/15/85/21/823158521.db2.gz LDOPLDXASJAZAY-UHFFFAOYSA-N 2 2 385.533 4.134 20 0 GIADLP CC[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000459303554 823158524 /nfs/dbraw/zinc/15/85/24/823158524.db2.gz LDOPLDXASJAZAY-UHFFFAOYSA-N 2 2 385.533 4.134 20 0 GIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056763990 823209011 /nfs/dbraw/zinc/20/90/11/823209011.db2.gz UREGVMRXURZRSP-NRFANRHFSA-N 2 2 397.567 4.148 20 0 GIADLP COCc1nc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000571845078 823244622 /nfs/dbraw/zinc/24/46/22/823244622.db2.gz UGWCLROFYUBZDD-CEWLAPEOSA-N 2 2 385.577 4.070 20 0 GIADLP COCc1nc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000571845078 823244627 /nfs/dbraw/zinc/24/46/27/823244627.db2.gz UGWCLROFYUBZDD-CEWLAPEOSA-N 2 2 385.577 4.070 20 0 GIADLP c1cc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)cc(C[NH+]2CCOCC2)c1 ZINC000121958182 823284573 /nfs/dbraw/zinc/28/45/73/823284573.db2.gz KRTYISYCZBYOEI-DEOSSOPVSA-N 2 2 392.543 4.011 20 0 GIADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000572290996 823314319 /nfs/dbraw/zinc/31/43/19/823314319.db2.gz UNVHUSGOXOXRCS-GOSISDBHSA-N 2 2 389.528 4.030 20 0 GIADLP C[NH+](C)[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521295 823353377 /nfs/dbraw/zinc/35/33/77/823353377.db2.gz CLVDYUCEYIEBAI-PKTZIBPZSA-N 2 2 381.539 4.215 20 0 GIADLP C[NH+](C)[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521295 823353381 /nfs/dbraw/zinc/35/33/81/823353381.db2.gz CLVDYUCEYIEBAI-PKTZIBPZSA-N 2 2 381.539 4.215 20 0 GIADLP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521295 823353385 /nfs/dbraw/zinc/35/33/85/823353385.db2.gz CLVDYUCEYIEBAI-PKTZIBPZSA-N 2 2 381.539 4.215 20 0 GIADLP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521295 823353395 /nfs/dbraw/zinc/35/33/95/823353395.db2.gz CLVDYUCEYIEBAI-PKTZIBPZSA-N 2 2 381.539 4.215 20 0 GIADLP Brc1ccc(C[N@@H+](C/C=C\c2ccccc2)CCn2cc[nH+]c2)o1 ZINC000572921483 823420107 /nfs/dbraw/zinc/42/01/07/823420107.db2.gz MYHZYGVJHHLUNJ-DAXSKMNVSA-N 2 2 386.293 4.454 20 0 GIADLP Brc1ccc(C[N@H+](C/C=C\c2ccccc2)CCn2cc[nH+]c2)o1 ZINC000572921483 823420109 /nfs/dbraw/zinc/42/01/09/823420109.db2.gz MYHZYGVJHHLUNJ-DAXSKMNVSA-N 2 2 386.293 4.454 20 0 GIADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000177343602 823440520 /nfs/dbraw/zinc/44/05/20/823440520.db2.gz KFJOLFXFAZLUDL-QFIPXVFZSA-N 2 2 383.511 4.189 20 0 GIADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000177343602 823440524 /nfs/dbraw/zinc/44/05/24/823440524.db2.gz KFJOLFXFAZLUDL-QFIPXVFZSA-N 2 2 383.511 4.189 20 0 GIADLP C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000177557656 823490416 /nfs/dbraw/zinc/49/04/16/823490416.db2.gz ZFAODRAXWJRTLB-GOSISDBHSA-N 2 2 395.551 4.030 20 0 GIADLP Clc1ccc(OCc2nc(C[NH2+]CCCNc3cccc[nH+]3)cs2)cc1 ZINC000177589097 823497138 /nfs/dbraw/zinc/49/71/38/823497138.db2.gz XSBQCGCKVPVOEK-UHFFFAOYSA-N 2 2 388.924 4.362 20 0 GIADLP C[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900559 823511722 /nfs/dbraw/zinc/51/17/22/823511722.db2.gz LXSABULPEQLSTM-AUUYWEPGSA-N 2 2 375.394 4.275 20 0 GIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000041650555 821216021 /nfs/dbraw/zinc/21/60/21/821216021.db2.gz XKMQJULOLUFQAU-MNOVXSKESA-N 2 2 387.119 4.147 20 0 GIADLP C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000180647022 821381100 /nfs/dbraw/zinc/38/11/00/821381100.db2.gz YWKABUMWENGBOG-ZDUSSCGKSA-N 2 2 389.286 4.468 20 0 GIADLP C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180671361 821390216 /nfs/dbraw/zinc/39/02/16/821390216.db2.gz XWCHBDCPPOABRZ-IVMQYODDSA-N 2 2 384.524 4.359 20 0 GIADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c(Cl)nc21 ZINC000180781304 821453739 /nfs/dbraw/zinc/45/37/39/821453739.db2.gz XVVZIOSBPFGMJC-DNVCBOLYSA-N 2 2 387.959 4.114 20 0 GIADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c(Cl)nc21 ZINC000180781304 821453742 /nfs/dbraw/zinc/45/37/42/821453742.db2.gz XVVZIOSBPFGMJC-DNVCBOLYSA-N 2 2 387.959 4.114 20 0 GIADLP CC(C)n1ncc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c(Cl)nc21 ZINC000180781304 821453744 /nfs/dbraw/zinc/45/37/44/821453744.db2.gz XVVZIOSBPFGMJC-DNVCBOLYSA-N 2 2 387.959 4.114 20 0 GIADLP CC(C)n1ncc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c(Cl)nc21 ZINC000180781304 821453750 /nfs/dbraw/zinc/45/37/50/821453750.db2.gz XVVZIOSBPFGMJC-DNVCBOLYSA-N 2 2 387.959 4.114 20 0 GIADLP COCCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000181383549 821798265 /nfs/dbraw/zinc/79/82/65/821798265.db2.gz OHEZOQOQVUFMOH-QGZVFWFLSA-N 2 2 387.593 4.264 20 0 GIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(Br)c1 ZINC000181591264 821893221 /nfs/dbraw/zinc/89/32/21/821893221.db2.gz WUOSMEBYRUSNMF-CQSZACIVSA-N 2 2 386.293 4.494 20 0 GIADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000181592175 821893712 /nfs/dbraw/zinc/89/37/12/821893712.db2.gz OQIURBQESQZGRA-HNNXBMFYSA-N 2 2 384.911 4.084 20 0 GIADLP CC(C)(C)c1ccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181762761 821981185 /nfs/dbraw/zinc/98/11/85/821981185.db2.gz CCFWXMRQWMQUOV-DEOSSOPVSA-N 2 2 391.559 4.143 20 0 GIADLP C[C@H]([NH2+]CC1(C[NH2+][C@@H](C)c2ccc(F)cc2F)COC1)c1ccc(F)cc1F ZINC000182418751 822235717 /nfs/dbraw/zinc/23/57/17/822235717.db2.gz UQRAIEKLIFUXIZ-KBPBESRZSA-N 2 2 396.428 4.261 20 0 GIADLP C[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183104224 822424816 /nfs/dbraw/zinc/42/48/16/822424816.db2.gz MPGQOOMIHNDULT-RDJZCZTQSA-N 2 2 399.560 4.281 20 0 GIADLP C[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183104224 822424820 /nfs/dbraw/zinc/42/48/20/822424820.db2.gz MPGQOOMIHNDULT-RDJZCZTQSA-N 2 2 399.560 4.281 20 0 GIADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000183258679 822449483 /nfs/dbraw/zinc/44/94/83/822449483.db2.gz FZHXHYNAOYTSNL-GJZGRUSLSA-N 2 2 377.454 4.268 20 0 GIADLP CCOCc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000179460842 822486116 /nfs/dbraw/zinc/48/61/16/822486116.db2.gz AVRBZGRJSFSGNK-UHFFFAOYSA-N 2 2 382.548 4.328 20 0 GIADLP CCOCc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000179460842 822486120 /nfs/dbraw/zinc/48/61/20/822486120.db2.gz AVRBZGRJSFSGNK-UHFFFAOYSA-N 2 2 382.548 4.328 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000179528055 822497515 /nfs/dbraw/zinc/49/75/15/822497515.db2.gz YSJLLEXVUGCVMU-MRXNPFEDSA-N 2 2 375.451 4.356 20 0 GIADLP Fc1ccc(-c2nc(CC[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)co2)cc1 ZINC000180171804 822631950 /nfs/dbraw/zinc/63/19/50/822631950.db2.gz STKMWSFDBGYBRE-UHFFFAOYSA-N 2 2 385.405 4.030 20 0 GIADLP Brc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c2ncccc12 ZINC000180182645 822634106 /nfs/dbraw/zinc/63/41/06/822634106.db2.gz PUVBSYDQEWXXIU-KRWDZBQOSA-N 2 2 388.353 4.448 20 0 GIADLP Brc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c2ncccc12 ZINC000180182645 822634111 /nfs/dbraw/zinc/63/41/11/822634111.db2.gz PUVBSYDQEWXXIU-KRWDZBQOSA-N 2 2 388.353 4.448 20 0 GIADLP CC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000184681838 822675692 /nfs/dbraw/zinc/67/56/92/822675692.db2.gz SAIJGLVURCQSFZ-UHFFFAOYSA-N 2 2 392.478 4.252 20 0 GIADLP COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1C ZINC000051618750 822769319 /nfs/dbraw/zinc/76/93/19/822769319.db2.gz XMGCOJRYCGLMQP-UHFFFAOYSA-N 2 2 396.535 4.057 20 0 GIADLP C[C@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186750120 822949448 /nfs/dbraw/zinc/94/94/48/822949448.db2.gz YPKSYSJDZWCUSZ-HNNXBMFYSA-N 2 2 390.409 4.102 20 0 GIADLP COc1ccc(C[C@@H](C)C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1F ZINC000187093666 823009873 /nfs/dbraw/zinc/00/98/73/823009873.db2.gz DNMBFPLCXPZRCG-GOSISDBHSA-N 2 2 381.495 4.090 20 0 GIADLP Cc1ccc(N2CCC([NH2+][C@H](C)c3ncc(Br)cc3F)CC2)[nH+]c1 ZINC000187242837 823029496 /nfs/dbraw/zinc/02/94/96/823029496.db2.gz LKDUHDNEMKFSMV-CYBMUJFWSA-N 2 2 393.304 4.006 20 0 GIADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000570439313 823038479 /nfs/dbraw/zinc/03/84/79/823038479.db2.gz UVEJCPKHVFTYCP-FQEVSTJZSA-N 2 2 391.519 4.067 20 0 GIADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000570439313 823038485 /nfs/dbraw/zinc/03/84/85/823038485.db2.gz UVEJCPKHVFTYCP-FQEVSTJZSA-N 2 2 391.519 4.067 20 0 GIADLP Brc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1OCc1ccccc1 ZINC000060831223 823560821 /nfs/dbraw/zinc/56/08/21/823560821.db2.gz MQXHIZXHVXHXKB-UHFFFAOYSA-N 2 2 386.293 4.014 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC000190326138 823563081 /nfs/dbraw/zinc/56/30/81/823563081.db2.gz HEYCUUPNMVSRDO-HNNXBMFYSA-N 2 2 393.441 4.495 20 0 GIADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000411425730 823572996 /nfs/dbraw/zinc/57/29/96/823572996.db2.gz ORYJRGODNFCSNA-UHFFFAOYSA-N 2 2 378.476 4.026 20 0 GIADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000411425730 823572998 /nfs/dbraw/zinc/57/29/98/823572998.db2.gz ORYJRGODNFCSNA-UHFFFAOYSA-N 2 2 378.476 4.026 20 0 GIADLP CN(c1ccccc1C[NH2+]Cc1csc(-c2ccco2)n1)C1CC[NH+](C)CC1 ZINC000124854860 823631331 /nfs/dbraw/zinc/63/13/31/823631331.db2.gz MSYOESDJVVZRRG-UHFFFAOYSA-N 2 2 396.560 4.223 20 0 GIADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000190993223 823635957 /nfs/dbraw/zinc/63/59/57/823635957.db2.gz GYWAXTOVAPZHFJ-OXJNMPFZSA-N 2 2 377.454 4.409 20 0 GIADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000190993223 823635959 /nfs/dbraw/zinc/63/59/59/823635959.db2.gz GYWAXTOVAPZHFJ-OXJNMPFZSA-N 2 2 377.454 4.409 20 0 GIADLP Fc1cc(C[NH2+]Cc2ccccc2OCc2ccncc2)ccc1-n1cc[nH+]c1 ZINC000063548748 823678913 /nfs/dbraw/zinc/67/89/13/823678913.db2.gz BEPAPZSSJLTKFU-UHFFFAOYSA-N 2 2 388.446 4.275 20 0 GIADLP CCCCn1c(SC[C@@H]2CCCC[N@@H+]2C(C)C)nnc1[C@H](CC)[NH+](C)C ZINC000412979825 823696579 /nfs/dbraw/zinc/69/65/79/823696579.db2.gz DCFUZHJYTNHQBM-ROUUACIJSA-N 2 2 381.634 4.446 20 0 GIADLP CCCCn1c(SC[C@@H]2CCCC[N@H+]2C(C)C)nnc1[C@H](CC)[NH+](C)C ZINC000412979825 823696581 /nfs/dbraw/zinc/69/65/81/823696581.db2.gz DCFUZHJYTNHQBM-ROUUACIJSA-N 2 2 381.634 4.446 20 0 GIADLP C[C@H](OCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1 ZINC000163382574 823705239 /nfs/dbraw/zinc/70/52/39/823705239.db2.gz OPUBAGDZZWYCHQ-FQEVSTJZSA-N 2 2 381.564 4.479 20 0 GIADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000163692120 823738076 /nfs/dbraw/zinc/73/80/76/823738076.db2.gz IIKBCTRSRBXNEE-QGZVFWFLSA-N 2 2 390.474 4.279 20 0 GIADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OC(F)F)cc1 ZINC000163746587 823745061 /nfs/dbraw/zinc/74/50/61/823745061.db2.gz XHJKTFUROQVNBS-OAQYLSRUSA-N 2 2 390.474 4.361 20 0 GIADLP COc1ccc2oc(C[NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)cc2c1 ZINC000126033493 823770776 /nfs/dbraw/zinc/77/07/76/823770776.db2.gz PALUCXHPIZBADB-UHFFFAOYSA-N 2 2 379.504 4.266 20 0 GIADLP CC1(C)Oc2ccsc2[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1O ZINC000574756504 823819913 /nfs/dbraw/zinc/81/99/13/823819913.db2.gz ZQPANEJQMQACAV-DSKINZAPSA-N 2 2 398.572 4.108 20 0 GIADLP CC1(C)Oc2ccsc2[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1O ZINC000574756504 823819918 /nfs/dbraw/zinc/81/99/18/823819918.db2.gz ZQPANEJQMQACAV-DSKINZAPSA-N 2 2 398.572 4.108 20 0 GIADLP CC[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113587 823832088 /nfs/dbraw/zinc/83/20/88/823832088.db2.gz TXZJOQITIGZSBF-XLIONFOSSA-N 3 2 383.502 4.162 20 0 GIADLP CC[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113587 823832099 /nfs/dbraw/zinc/83/20/99/823832099.db2.gz TXZJOQITIGZSBF-XLIONFOSSA-N 3 2 383.502 4.162 20 0 GIADLP c1cc2c(s1)CC[NH+]([C@@H](CN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172208 823871297 /nfs/dbraw/zinc/87/12/97/823871297.db2.gz VZYBKSMJNMVHHY-VSKRKVRLSA-N 2 2 381.589 4.064 20 0 GIADLP c1cc2c(s1)CC[NH+]([C@@H](CN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172208 823871301 /nfs/dbraw/zinc/87/13/01/823871301.db2.gz VZYBKSMJNMVHHY-VSKRKVRLSA-N 2 2 381.589 4.064 20 0 GIADLP c1cc2c(s1)CC[N@@H+]([C@@H](CN[C@@H]1CC[NH+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172208 823871309 /nfs/dbraw/zinc/87/13/09/823871309.db2.gz VZYBKSMJNMVHHY-VSKRKVRLSA-N 2 2 381.589 4.064 20 0 GIADLP c1cc2c(s1)CC[N@H+]([C@@H](CN[C@@H]1CC[NH+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172208 823871316 /nfs/dbraw/zinc/87/13/16/823871316.db2.gz VZYBKSMJNMVHHY-VSKRKVRLSA-N 2 2 381.589 4.064 20 0 GIADLP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3C)ccc2NC1=O ZINC000192159777 823885319 /nfs/dbraw/zinc/88/53/19/823885319.db2.gz LGWROGFYULNDSO-IERDGZPVSA-N 2 2 390.487 4.141 20 0 GIADLP CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000192173185 823891122 /nfs/dbraw/zinc/89/11/22/823891122.db2.gz MXRZNUFUTSXBHG-UHFFFAOYSA-N 2 2 382.552 4.041 20 0 GIADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000414065020 823899239 /nfs/dbraw/zinc/89/92/39/823899239.db2.gz OCEWHRRFAKLXNE-JKSUJKDBSA-N 2 2 387.549 4.012 20 0 GIADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000414065020 823899249 /nfs/dbraw/zinc/89/92/49/823899249.db2.gz OCEWHRRFAKLXNE-JKSUJKDBSA-N 2 2 387.549 4.012 20 0 GIADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105335 823910729 /nfs/dbraw/zinc/91/07/29/823910729.db2.gz GODCFBPQYHPKEY-UWJYYQICSA-N 2 2 393.556 4.228 20 0 GIADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105335 823910736 /nfs/dbraw/zinc/91/07/36/823910736.db2.gz GODCFBPQYHPKEY-UWJYYQICSA-N 2 2 393.556 4.228 20 0 GIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130828 823916357 /nfs/dbraw/zinc/91/63/57/823916357.db2.gz WXWYYFMASBNFAO-ZSZQSSIHSA-N 2 2 380.458 4.173 20 0 GIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130828 823916366 /nfs/dbraw/zinc/91/63/66/823916366.db2.gz WXWYYFMASBNFAO-ZSZQSSIHSA-N 2 2 380.458 4.173 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414245960 823939240 /nfs/dbraw/zinc/93/92/40/823939240.db2.gz UEBOIWVXGNODDW-DYESRHJHSA-N 2 2 385.502 4.282 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414245960 823939244 /nfs/dbraw/zinc/93/92/44/823939244.db2.gz UEBOIWVXGNODDW-DYESRHJHSA-N 2 2 385.502 4.282 20 0 GIADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000414260871 823944914 /nfs/dbraw/zinc/94/49/14/823944914.db2.gz NDXPDZPRBBTPOQ-UZLBHIALSA-N 2 2 388.353 4.153 20 0 GIADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000414260871 823944917 /nfs/dbraw/zinc/94/49/17/823944917.db2.gz NDXPDZPRBBTPOQ-UZLBHIALSA-N 2 2 388.353 4.153 20 0 GIADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4nnc(C5CC5)s4)[C@H]3C2)cc1 ZINC000414327543 823958863 /nfs/dbraw/zinc/95/88/63/823958863.db2.gz OSSDLRWMXRQLCF-SLFFLAALSA-N 2 2 382.577 4.196 20 0 GIADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4nnc(C5CC5)s4)[C@H]3C2)cc1 ZINC000414327543 823958874 /nfs/dbraw/zinc/95/88/74/823958874.db2.gz OSSDLRWMXRQLCF-SLFFLAALSA-N 2 2 382.577 4.196 20 0 GIADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000414451448 823987536 /nfs/dbraw/zinc/98/75/36/823987536.db2.gz NQWSITNFWLLVIP-SFHVURJKSA-N 2 2 393.510 4.232 20 0 GIADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000414451448 823987544 /nfs/dbraw/zinc/98/75/44/823987544.db2.gz NQWSITNFWLLVIP-SFHVURJKSA-N 2 2 393.510 4.232 20 0 GIADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000414451447 823987654 /nfs/dbraw/zinc/98/76/54/823987654.db2.gz NQWSITNFWLLVIP-GOSISDBHSA-N 2 2 393.510 4.232 20 0 GIADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000414451447 823987662 /nfs/dbraw/zinc/98/76/62/823987662.db2.gz NQWSITNFWLLVIP-GOSISDBHSA-N 2 2 393.510 4.232 20 0 GIADLP C[C@H]([NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@H]1CCC[NH2+]C1 ZINC000414852623 824042231 /nfs/dbraw/zinc/04/22/31/824042231.db2.gz KDNYFAACROHDPV-JSGCOSHPSA-N 2 2 380.355 4.050 20 0 GIADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414936792 824051960 /nfs/dbraw/zinc/05/19/60/824051960.db2.gz HAMFSUJETSMXDQ-SBUREZEXSA-N 2 2 375.516 4.409 20 0 GIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cnc(C3CCC3)s2)[C@@H]1c1cnn(C)c1 ZINC000328635856 206237263 /nfs/dbraw/zinc/23/72/63/206237263.db2.gz NRZUCIVNKKEUGM-FXAWDEMLSA-N 2 2 387.597 4.049 20 0 GIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cnc(C3CCC3)s2)[C@@H]1c1cnn(C)c1 ZINC000328635856 206237266 /nfs/dbraw/zinc/23/72/66/206237266.db2.gz NRZUCIVNKKEUGM-FXAWDEMLSA-N 2 2 387.597 4.049 20 0 GIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cnc(C3CCC3)s2)[C@@H]1c1cnn(C)c1 ZINC000328635856 206237271 /nfs/dbraw/zinc/23/72/71/206237271.db2.gz NRZUCIVNKKEUGM-FXAWDEMLSA-N 2 2 387.597 4.049 20 0 GIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cnc(C3CCC3)s2)[C@@H]1c1cnn(C)c1 ZINC000328635856 206237273 /nfs/dbraw/zinc/23/72/73/206237273.db2.gz NRZUCIVNKKEUGM-FXAWDEMLSA-N 2 2 387.597 4.049 20 0 GIADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000359994433 206277554 /nfs/dbraw/zinc/27/75/54/206277554.db2.gz BMGOROQQRIOKNT-YLJYHZDGSA-N 3 2 383.502 4.046 20 0 GIADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000359994433 206277556 /nfs/dbraw/zinc/27/75/56/206277556.db2.gz BMGOROQQRIOKNT-YLJYHZDGSA-N 3 2 383.502 4.046 20 0 GIADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3cccc(C)c3[nH+]1)C2 ZINC001164808594 720076764 /nfs/dbraw/zinc/07/67/64/720076764.db2.gz IHJWFLPOJBCULW-RDPSFJRHSA-N 2 2 379.548 4.036 20 0 GIADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3cccc(C)c3[nH+]1)C2 ZINC001164808594 720076772 /nfs/dbraw/zinc/07/67/72/720076772.db2.gz IHJWFLPOJBCULW-RDPSFJRHSA-N 2 2 379.548 4.036 20 0 GIADLP FC1(F)CCN(c2[nH+]ccc3ccccc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905619 721586802 /nfs/dbraw/zinc/58/68/02/721586802.db2.gz KGKMBTBLPJQWQJ-QFIPXVFZSA-N 2 2 394.469 4.368 20 0 GIADLP FC1(F)CCN(c2[nH+]ccc3ccccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905619 721586804 /nfs/dbraw/zinc/58/68/04/721586804.db2.gz KGKMBTBLPJQWQJ-QFIPXVFZSA-N 2 2 394.469 4.368 20 0 GIADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc(C(C)C)[nH+]1 ZINC001165025796 721801932 /nfs/dbraw/zinc/80/19/32/721801932.db2.gz OYCGETGZFUSMNX-CZTZKLFOSA-N 2 2 379.552 4.040 20 0 GIADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc(C(C)C)[nH+]1 ZINC001165025796 721801935 /nfs/dbraw/zinc/80/19/35/721801935.db2.gz OYCGETGZFUSMNX-CZTZKLFOSA-N 2 2 379.552 4.040 20 0 GIADLP CN(CCCn1cc[nH+]c1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000120740556 823055242 /nfs/dbraw/zinc/05/52/42/823055242.db2.gz QCTCDVWOAVNJDI-UHFFFAOYSA-N 2 2 383.540 4.202 20 0 GIADLP CN(CCCn1cc[nH+]c1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000120740556 823055248 /nfs/dbraw/zinc/05/52/48/823055248.db2.gz QCTCDVWOAVNJDI-UHFFFAOYSA-N 2 2 383.540 4.202 20 0 GIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ncc(Br)cc1F ZINC000187535969 823084331 /nfs/dbraw/zinc/08/43/31/823084331.db2.gz RFEWNOBBXXOBQE-MELADBBJSA-N 2 2 384.337 4.287 20 0 GIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ncc(Br)cc1F ZINC000187535969 823084337 /nfs/dbraw/zinc/08/43/37/823084337.db2.gz RFEWNOBBXXOBQE-MELADBBJSA-N 2 2 384.337 4.287 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)on1 ZINC000570812846 823090527 /nfs/dbraw/zinc/09/05/27/823090527.db2.gz KKDGWFYCKSIBEB-KRWDZBQOSA-N 2 2 388.471 4.226 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)on1 ZINC000570812846 823090534 /nfs/dbraw/zinc/09/05/34/823090534.db2.gz KKDGWFYCKSIBEB-KRWDZBQOSA-N 2 2 388.471 4.226 20 0 GIADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000570848840 823095371 /nfs/dbraw/zinc/09/53/71/823095371.db2.gz QJFGFOMRDBPKEA-UHFFFAOYSA-N 2 2 394.563 4.202 20 0 GIADLP CN(C)[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045964 823124562 /nfs/dbraw/zinc/12/45/62/823124562.db2.gz QTIPYAKEIKVFDV-GOTSBHOMSA-N 2 2 381.539 4.215 20 0 GIADLP CN(C)[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045964 823124564 /nfs/dbraw/zinc/12/45/64/823124564.db2.gz QTIPYAKEIKVFDV-GOTSBHOMSA-N 2 2 381.539 4.215 20 0 GIADLP C[N@H+](Cc1cscn1)Cc1cccc(NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459360930 823171624 /nfs/dbraw/zinc/17/16/24/823171624.db2.gz VSSYQEZRILRFDP-UHFFFAOYSA-N 2 2 393.560 4.251 20 0 GIADLP C[N@@H+](Cc1cscn1)Cc1cccc(NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459360930 823171629 /nfs/dbraw/zinc/17/16/29/823171629.db2.gz VSSYQEZRILRFDP-UHFFFAOYSA-N 2 2 393.560 4.251 20 0 GIADLP CC[N@H+](Cc1cnc(C2CC2)nc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000459354960 823169848 /nfs/dbraw/zinc/16/98/48/823169848.db2.gz TUHDGPPGTGLXJD-UHFFFAOYSA-N 2 2 394.567 4.067 20 0 GIADLP CC[N@@H+](Cc1cnc(C2CC2)nc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000459354960 823169851 /nfs/dbraw/zinc/16/98/51/823169851.db2.gz TUHDGPPGTGLXJD-UHFFFAOYSA-N 2 2 394.567 4.067 20 0 GIADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)[C@H]1Sc1ccccc1 ZINC000459372946 823175448 /nfs/dbraw/zinc/17/54/48/823175448.db2.gz UZOFCWUFVNNWKC-DNVJHFABSA-N 2 2 393.556 4.359 20 0 GIADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000188114827 823188613 /nfs/dbraw/zinc/18/86/13/823188613.db2.gz NTRBOGGEGUWXIP-KRWDZBQOSA-N 2 2 398.348 4.457 20 0 GIADLP C[N@@H+]1CC[C@H]([NH2+][C@H](Cn2ccccc2=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000571466601 823187149 /nfs/dbraw/zinc/18/71/49/823187149.db2.gz BUINKQLJNWEWIH-RBZQAINGSA-N 2 2 387.527 4.015 20 0 GIADLP C[N@H+]1CC[C@H]([NH2+][C@H](Cn2ccccc2=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000571466601 823187150 /nfs/dbraw/zinc/18/71/50/823187150.db2.gz BUINKQLJNWEWIH-RBZQAINGSA-N 2 2 387.527 4.015 20 0 GIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000571466600 823187155 /nfs/dbraw/zinc/18/71/55/823187155.db2.gz BUINKQLJNWEWIH-KMDXXIMOSA-N 2 2 387.527 4.015 20 0 GIADLP C[N@H+]1CC[C@H]([NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000571466600 823187156 /nfs/dbraw/zinc/18/71/56/823187156.db2.gz BUINKQLJNWEWIH-KMDXXIMOSA-N 2 2 387.527 4.015 20 0 GIADLP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000571928133 823255815 /nfs/dbraw/zinc/25/58/15/823255815.db2.gz BYLXVZMECWAXNJ-QAPCUYQASA-N 2 2 396.457 4.052 20 0 GIADLP C[N@@H+]1CCCC[C@H]1CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000057530301 823307224 /nfs/dbraw/zinc/30/72/24/823307224.db2.gz GIAFGQNZDBFPLC-IBGZPJMESA-N 2 2 399.608 4.220 20 0 GIADLP C[N@H+]1CCCC[C@H]1CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000057530301 823307230 /nfs/dbraw/zinc/30/72/30/823307230.db2.gz GIAFGQNZDBFPLC-IBGZPJMESA-N 2 2 399.608 4.220 20 0 GIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(SC(=O)N(C)C)cc3)C2)CC1 ZINC000176928662 823326524 /nfs/dbraw/zinc/32/65/24/823326524.db2.gz RWDLPCVJVXMHPV-HXUWFJFHSA-N 2 2 389.609 4.404 20 0 GIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(SC(=O)N(C)C)cc3)C2)CC1 ZINC000176928662 823326533 /nfs/dbraw/zinc/32/65/33/823326533.db2.gz RWDLPCVJVXMHPV-HXUWFJFHSA-N 2 2 389.609 4.404 20 0 GIADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000460390934 823373684 /nfs/dbraw/zinc/37/36/84/823373684.db2.gz WVVFXWVXMVQXRJ-UHFFFAOYSA-N 2 2 393.373 4.269 20 0 GIADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000460390934 823373691 /nfs/dbraw/zinc/37/36/91/823373691.db2.gz WVVFXWVXMVQXRJ-UHFFFAOYSA-N 2 2 393.373 4.269 20 0 GIADLP COCCC1(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CCCCC1 ZINC000189231707 823379305 /nfs/dbraw/zinc/37/93/05/823379305.db2.gz SRNPTFFKXHXHNO-OAQYLSRUSA-N 2 2 388.596 4.463 20 0 GIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1c1cccs1 ZINC000189243586 823380812 /nfs/dbraw/zinc/38/08/12/823380812.db2.gz VWFACVOUKUMRGI-SIKLNZKXSA-N 2 2 398.551 4.305 20 0 GIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1c1cccs1 ZINC000189243586 823380819 /nfs/dbraw/zinc/38/08/19/823380819.db2.gz VWFACVOUKUMRGI-SIKLNZKXSA-N 2 2 398.551 4.305 20 0 GIADLP CC(C)c1ccc([C@H](C)CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460485222 823404742 /nfs/dbraw/zinc/40/47/42/823404742.db2.gz CIOJOFBDYJMUSA-OAQYLSRUSA-N 2 2 399.623 4.370 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122769250 823408906 /nfs/dbraw/zinc/40/89/06/823408906.db2.gz ALDYWKKIWTYFER-YADARESESA-N 2 2 391.515 4.287 20 0 GIADLP C[N@H+](CCc1c(F)cccc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255763 823410780 /nfs/dbraw/zinc/41/07/80/823410780.db2.gz ZQENPUDWKMMLPK-UHFFFAOYSA-N 2 2 375.919 4.056 20 0 GIADLP C[N@@H+](CCc1c(F)cccc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255763 823410784 /nfs/dbraw/zinc/41/07/84/823410784.db2.gz ZQENPUDWKMMLPK-UHFFFAOYSA-N 2 2 375.919 4.056 20 0 GIADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000573024312 823435394 /nfs/dbraw/zinc/43/53/94/823435394.db2.gz AJECAQLGHLEEBB-RBZQAINGSA-N 2 2 376.544 4.203 20 0 GIADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000573024312 823435401 /nfs/dbraw/zinc/43/54/01/823435401.db2.gz AJECAQLGHLEEBB-RBZQAINGSA-N 2 2 376.544 4.203 20 0 GIADLP c1cn(Cc2cccc(-c3noc(-c4ccc(C[NH+]5CCCC5)cc4)n3)c2)c[nH+]1 ZINC000573245618 823469830 /nfs/dbraw/zinc/46/98/30/823469830.db2.gz MVKBNPRUYYGITO-UHFFFAOYSA-N 2 2 385.471 4.244 20 0 GIADLP C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000177557634 823490476 /nfs/dbraw/zinc/49/04/76/823490476.db2.gz ZFAODRAXWJRTLB-SFHVURJKSA-N 2 2 395.551 4.030 20 0 GIADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000030652080 820658415 /nfs/dbraw/zinc/65/84/15/820658415.db2.gz JNGRCBWIPYUMKJ-UHFFFAOYSA-N 2 2 389.478 4.163 20 0 GIADLP CCOc1c(Cl)cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1OC ZINC000030651903 820658512 /nfs/dbraw/zinc/65/85/12/820658512.db2.gz VRRAFHJYGGEURZ-UHFFFAOYSA-N 2 2 385.895 4.282 20 0 GIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123332004 823497419 /nfs/dbraw/zinc/49/74/19/823497419.db2.gz JQYBEBNZYQSTAP-UPRUFMODSA-N 2 2 396.535 4.453 20 0 GIADLP Clc1cccc([C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCCC2)c1 ZINC000030911064 820707579 /nfs/dbraw/zinc/70/75/79/820707579.db2.gz VAIMLXLHVYEKFW-JOCHJYFZSA-N 2 2 380.923 4.452 20 0 GIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1Br ZINC000041641724 821215371 /nfs/dbraw/zinc/21/53/71/821215371.db2.gz UCRYZJDANGXHEJ-NSHDSACASA-N 2 2 387.119 4.149 20 0 GIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000180697703 821401327 /nfs/dbraw/zinc/40/13/27/821401327.db2.gz HTPMTOQDUORQEN-QGZVFWFLSA-N 2 2 385.508 4.069 20 0 GIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000180697703 821401330 /nfs/dbraw/zinc/40/13/30/821401330.db2.gz HTPMTOQDUORQEN-QGZVFWFLSA-N 2 2 385.508 4.069 20 0 GIADLP c1cc(Oc2ccccc2)oc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000180772814 821447368 /nfs/dbraw/zinc/44/73/68/821447368.db2.gz TYSSDJHDGXGUAY-UHFFFAOYSA-N 2 2 378.472 4.194 20 0 GIADLP COc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1OC ZINC000181593687 821894688 /nfs/dbraw/zinc/89/46/88/821894688.db2.gz HCCNQYKUMHQXGB-MSOLQXFVSA-N 2 2 383.536 4.283 20 0 GIADLP C[C@@H]([NH2+]CC1(C[NH2+][C@H](C)c2ccc(F)cc2F)COC1)c1ccc(F)cc1F ZINC000182418793 822235673 /nfs/dbraw/zinc/23/56/73/822235673.db2.gz UQRAIEKLIFUXIZ-ZIAGYGMSSA-N 2 2 396.428 4.261 20 0 GIADLP CCN(CC)C(=O)[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccccc1 ZINC000178131446 822327932 /nfs/dbraw/zinc/32/79/32/822327932.db2.gz BQGFENKYNXCFSR-FDDCHVKYSA-N 2 2 390.531 4.441 20 0 GIADLP COC(=O)c1ccc(Cl)c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183690284 822512092 /nfs/dbraw/zinc/51/20/92/822512092.db2.gz FOQSNQGOLMXSRP-CQSZACIVSA-N 2 2 383.879 4.472 20 0 GIADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180408705 822676593 /nfs/dbraw/zinc/67/65/93/822676593.db2.gz KXFVHLJWHCMUJU-LJQANCHMSA-N 2 2 388.515 4.349 20 0 GIADLP Cc1cc([C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccccc2Cl)ccc1F ZINC000180464370 822686809 /nfs/dbraw/zinc/68/68/09/822686809.db2.gz CAHRULRILCBTKC-HTAPYJJXSA-N 2 2 389.946 4.102 20 0 GIADLP Cc1cc([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)ccc1F ZINC000180496924 822691286 /nfs/dbraw/zinc/69/12/86/822691286.db2.gz BRFPDNHVMBBNBO-HTAPYJJXSA-N 2 2 389.946 4.102 20 0 GIADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455867953 822739751 /nfs/dbraw/zinc/73/97/51/822739751.db2.gz VSBADEKUKJHQSN-IERDGZPVSA-N 2 2 398.576 4.208 20 0 GIADLP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1F ZINC000185308470 822763405 /nfs/dbraw/zinc/76/34/05/822763405.db2.gz LMTBTMHLJBPMED-ROUUACIJSA-N 2 2 385.527 4.223 20 0 GIADLP COc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1F ZINC000185308488 822763467 /nfs/dbraw/zinc/76/34/67/822763467.db2.gz LMTBTMHLJBPMED-MSOLQXFVSA-N 2 2 385.527 4.223 20 0 GIADLP CC[NH+](CC)CC1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000051908009 822782723 /nfs/dbraw/zinc/78/27/23/822782723.db2.gz WZPWGTSICGZZAW-UHFFFAOYSA-N 2 2 391.556 4.415 20 0 GIADLP C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185699563 822811326 /nfs/dbraw/zinc/81/13/26/822811326.db2.gz NIWIGURLXJYGET-RTBURBONSA-N 2 2 378.564 4.104 20 0 GIADLP C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185699563 822811329 /nfs/dbraw/zinc/81/13/29/822811329.db2.gz NIWIGURLXJYGET-RTBURBONSA-N 2 2 378.564 4.104 20 0 GIADLP C[C@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709112 822812562 /nfs/dbraw/zinc/81/25/62/822812562.db2.gz MVRFSJAEXJSTSS-UONOGXRCSA-N 2 2 381.351 4.384 20 0 GIADLP C[C@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709112 822812566 /nfs/dbraw/zinc/81/25/66/822812566.db2.gz MVRFSJAEXJSTSS-UONOGXRCSA-N 2 2 381.351 4.384 20 0 GIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000186250722 822864920 /nfs/dbraw/zinc/86/49/20/822864920.db2.gz DDWKFMWRCKJQKM-SFHVURJKSA-N 2 2 386.609 4.255 20 0 GIADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000175216269 822906704 /nfs/dbraw/zinc/90/67/04/822906704.db2.gz RGXIITUGAOVCKY-UHFFFAOYSA-N 2 2 394.523 4.162 20 0 GIADLP Brc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)o2)cc1 ZINC000055043154 822933736 /nfs/dbraw/zinc/93/37/36/822933736.db2.gz KXQLYYCOHSOOTD-UHFFFAOYSA-N 2 2 375.310 4.426 20 0 GIADLP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ncc(Br)cc3F)CC2)[nH+]c1 ZINC000187242817 823029437 /nfs/dbraw/zinc/02/94/37/823029437.db2.gz LKDUHDNEMKFSMV-ZDUSSCGKSA-N 2 2 393.304 4.006 20 0 GIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C)nc1C ZINC000187251922 823030844 /nfs/dbraw/zinc/03/08/44/823030844.db2.gz KDIKVYQTUQNJDH-UHFFFAOYSA-N 2 2 378.520 4.386 20 0 GIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C)nc1C ZINC000187251922 823030845 /nfs/dbraw/zinc/03/08/45/823030845.db2.gz KDIKVYQTUQNJDH-UHFFFAOYSA-N 2 2 378.520 4.386 20 0 GIADLP CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000061003056 823572138 /nfs/dbraw/zinc/57/21/38/823572138.db2.gz ZOXMKYRKPKZEPR-UHFFFAOYSA-N 2 2 385.515 4.478 20 0 GIADLP CN(C(=O)c1cc2ccccc2s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124549947 823605722 /nfs/dbraw/zinc/60/57/22/823605722.db2.gz IWIXGFYFKDAZPI-UXHICEINSA-N 2 2 399.604 4.311 20 0 GIADLP CN(C(=O)c1cc2ccccc2s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124549947 823605724 /nfs/dbraw/zinc/60/57/24/823605724.db2.gz IWIXGFYFKDAZPI-UXHICEINSA-N 2 2 399.604 4.311 20 0 GIADLP Cc1ccc2oc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000124676123 823616254 /nfs/dbraw/zinc/61/62/54/823616254.db2.gz WBNGSCSDWOPQKB-LEWJYISDSA-N 2 2 397.563 4.150 20 0 GIADLP Cc1ccc2oc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000124676123 823616256 /nfs/dbraw/zinc/61/62/56/823616256.db2.gz WBNGSCSDWOPQKB-LEWJYISDSA-N 2 2 397.563 4.150 20 0 GIADLP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Cn1cc[nH+]c1 ZINC000062254509 823626689 /nfs/dbraw/zinc/62/66/89/823626689.db2.gz MNWFLQJHFHHART-SFHVURJKSA-N 2 2 389.478 4.301 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000191482450 823689839 /nfs/dbraw/zinc/68/98/39/823689839.db2.gz BNXGPSHFNOMBJX-UHFFFAOYSA-N 2 2 383.323 4.103 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000191482450 823689841 /nfs/dbraw/zinc/68/98/41/823689841.db2.gz BNXGPSHFNOMBJX-UHFFFAOYSA-N 2 2 383.323 4.103 20 0 GIADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163722180 823741505 /nfs/dbraw/zinc/74/15/05/823741505.db2.gz RRKHFQCNSMTPEM-MSOLQXFVSA-N 2 2 395.572 4.410 20 0 GIADLP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163730518 823742839 /nfs/dbraw/zinc/74/28/39/823742839.db2.gz BHGKNJCJMAMXAT-JOCHJYFZSA-N 2 2 378.516 4.055 20 0 GIADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3ncc[nH]3)C3CCCCC3)c2)CCO1 ZINC000574591412 823773960 /nfs/dbraw/zinc/77/39/60/823773960.db2.gz TXSBZTWRALDCER-AVRDEDQJSA-N 2 2 382.552 4.042 20 0 GIADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3ncc[nH]3)C3CCCCC3)c2)CCO1 ZINC000574591412 823773965 /nfs/dbraw/zinc/77/39/65/823773965.db2.gz TXSBZTWRALDCER-AVRDEDQJSA-N 2 2 382.552 4.042 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000126218592 823814687 /nfs/dbraw/zinc/81/46/87/823814687.db2.gz VFWOPIRMWALEKX-TYCQWZJGSA-N 2 2 383.511 4.323 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000126218592 823814695 /nfs/dbraw/zinc/81/46/95/823814695.db2.gz VFWOPIRMWALEKX-TYCQWZJGSA-N 2 2 383.511 4.323 20 0 GIADLP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC[NH+](C)CC1 ZINC000165581948 823854452 /nfs/dbraw/zinc/85/44/52/823854452.db2.gz ACVFRBQYNCVXSK-HXUWFJFHSA-N 3 2 388.559 4.418 20 0 GIADLP Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC[C@H]2CCOC2)c1 ZINC000167200917 823888982 /nfs/dbraw/zinc/88/89/82/823888982.db2.gz QXSPCYLNTQLECJ-UXHICEINSA-N 2 2 391.515 4.447 20 0 GIADLP COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000167245961 823889575 /nfs/dbraw/zinc/88/95/75/823889575.db2.gz RNRUDVNSRFJAJQ-IBGZPJMESA-N 2 2 379.504 4.447 20 0 GIADLP O=C(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccc(Cl)cc1 ZINC000575044869 823898805 /nfs/dbraw/zinc/89/88/05/823898805.db2.gz AMYYJPQKBYOAOD-FQEVSTJZSA-N 2 2 383.923 4.065 20 0 GIADLP O=C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccc(Cl)cc1 ZINC000575044869 823898813 /nfs/dbraw/zinc/89/88/13/823898813.db2.gz AMYYJPQKBYOAOD-FQEVSTJZSA-N 2 2 383.923 4.065 20 0 GIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4nc(C)sc43)CC2)cc1 ZINC000575089159 823908442 /nfs/dbraw/zinc/90/84/42/823908442.db2.gz PUIWGQJDELMXEP-OAQYLSRUSA-N 2 2 398.576 4.042 20 0 GIADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1(C)C ZINC000414156202 823919342 /nfs/dbraw/zinc/91/93/42/823919342.db2.gz ULFSPTAQGINWQQ-BHUNQDJPSA-N 2 2 376.507 4.364 20 0 GIADLP Clc1c(Br)cccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000414207923 823929370 /nfs/dbraw/zinc/92/93/70/823929370.db2.gz HYPDWXYMRSAYTN-UHFFFAOYSA-N 2 2 380.717 4.256 20 0 GIADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000575792108 823997834 /nfs/dbraw/zinc/99/78/34/823997834.db2.gz VGIQGXXUFDQLBT-HSZRJFAPSA-N 2 2 375.516 4.344 20 0 GIADLP Cn1c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)nc2cc(C(F)(F)F)ccc21 ZINC000575955598 824036811 /nfs/dbraw/zinc/03/68/11/824036811.db2.gz QDXAOLPFUVBEKW-UHFFFAOYSA-N 2 2 399.420 4.127 20 0 GIADLP C[C@H]([NH2+]C1(C[NH2+]CCCc2ccc3c(c2)CCO3)CCOCC1)c1ccccc1 ZINC000192629774 824050277 /nfs/dbraw/zinc/05/02/77/824050277.db2.gz XCZFKTDBNGFOJP-FQEVSTJZSA-N 2 2 394.559 4.044 20 0 GIADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)c(C)c1 ZINC000414941213 824052498 /nfs/dbraw/zinc/05/24/98/824052498.db2.gz LBSWTKZCOSSBOC-JPYJTQIMSA-N 2 2 375.516 4.463 20 0 GIADLP Cc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(C(C)C)[nH+]1 ZINC001164795440 721500117 /nfs/dbraw/zinc/50/01/17/721500117.db2.gz HBCKDAWRVQKNRN-UHFFFAOYSA-N 2 2 379.552 4.184 20 0 GIADLP Cc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc(C(C)C)[nH+]1 ZINC001164795440 721500119 /nfs/dbraw/zinc/50/01/19/721500119.db2.gz HBCKDAWRVQKNRN-UHFFFAOYSA-N 2 2 379.552 4.184 20 0 GIADLP FC1(F)CCN(c2cc(C3CC3)cc[nH+]2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907836 721710473 /nfs/dbraw/zinc/71/04/73/721710473.db2.gz UMKREVWGJQVRIY-OAQYLSRUSA-N 2 2 384.474 4.092 20 0 GIADLP FC1(F)CCN(c2cc(C3CC3)cc[nH+]2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907836 721710480 /nfs/dbraw/zinc/71/04/80/721710480.db2.gz UMKREVWGJQVRIY-OAQYLSRUSA-N 2 2 384.474 4.092 20 0 GIADLP FC1(F)CCN(c2cccc(C3CC3)[nH+]2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913466 721735897 /nfs/dbraw/zinc/73/58/97/721735897.db2.gz VXSKUKHTKWVWOT-NRFANRHFSA-N 2 2 384.474 4.092 20 0 GIADLP FC1(F)CCN(c2cccc(C3CC3)[nH+]2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913466 721735902 /nfs/dbraw/zinc/73/59/02/721735902.db2.gz VXSKUKHTKWVWOT-NRFANRHFSA-N 2 2 384.474 4.092 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001165021537 721823471 /nfs/dbraw/zinc/82/34/71/721823471.db2.gz GAOMDCVNAMOKKL-CEWLAPEOSA-N 2 2 379.552 4.040 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001165021537 721823473 /nfs/dbraw/zinc/82/34/73/721823473.db2.gz GAOMDCVNAMOKKL-CEWLAPEOSA-N 2 2 379.552 4.040 20 0 GIADLP CSCc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027008 721828989 /nfs/dbraw/zinc/82/89/89/721828989.db2.gz QSTZRGFWYFCULN-JBACZVJFSA-N 2 2 382.577 4.077 20 0 GIADLP CSCc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027008 721828991 /nfs/dbraw/zinc/82/89/91/721828991.db2.gz QSTZRGFWYFCULN-JBACZVJFSA-N 2 2 382.577 4.077 20 0 GIADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)C2)cc1 ZINC001164938735 721930307 /nfs/dbraw/zinc/93/03/07/721930307.db2.gz FXBXLAIKLKSMRY-UHFFFAOYSA-N 2 2 394.563 4.088 20 0 GIADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)C2)cc1 ZINC001164938735 721930310 /nfs/dbraw/zinc/93/03/10/721930310.db2.gz FXBXLAIKLKSMRY-UHFFFAOYSA-N 2 2 394.563 4.088 20 0 GIADLP CC(C)CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1 ZINC000570645020 823066068 /nfs/dbraw/zinc/06/60/68/823066068.db2.gz CLPODVRHEAEQTD-GLCCWIKHSA-N 2 2 385.596 4.227 20 0 GIADLP CC(C)CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1 ZINC000570645020 823066073 /nfs/dbraw/zinc/06/60/73/823066073.db2.gz CLPODVRHEAEQTD-GLCCWIKHSA-N 2 2 385.596 4.227 20 0 GIADLP CCCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)Nc1cc(C)on1 ZINC000175911002 823070519 /nfs/dbraw/zinc/07/05/19/823070519.db2.gz IGFUGXLIHPXADS-UIFIKXQLSA-N 2 2 398.551 4.123 20 0 GIADLP CCCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)Nc1cc(C)on1 ZINC000175911002 823070524 /nfs/dbraw/zinc/07/05/24/823070524.db2.gz IGFUGXLIHPXADS-UIFIKXQLSA-N 2 2 398.551 4.123 20 0 GIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570704220 823073772 /nfs/dbraw/zinc/07/37/72/823073772.db2.gz NRNXQOSPJTUKSZ-JXALWOEJSA-N 2 2 382.548 4.068 20 0 GIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570704220 823073777 /nfs/dbraw/zinc/07/37/77/823073777.db2.gz NRNXQOSPJTUKSZ-JXALWOEJSA-N 2 2 382.548 4.068 20 0 GIADLP C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187536006 823084190 /nfs/dbraw/zinc/08/41/90/823084190.db2.gz RFEWNOBBXXOBQE-HZSPNIEDSA-N 2 2 384.337 4.287 20 0 GIADLP C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187536006 823084195 /nfs/dbraw/zinc/08/41/95/823084195.db2.gz RFEWNOBBXXOBQE-HZSPNIEDSA-N 2 2 384.337 4.287 20 0 GIADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000570977608 823114749 /nfs/dbraw/zinc/11/47/49/823114749.db2.gz AKYDFKIGHQKSJT-GFCCVEGCSA-N 2 2 379.264 4.289 20 0 GIADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000570977608 823114752 /nfs/dbraw/zinc/11/47/52/823114752.db2.gz AKYDFKIGHQKSJT-GFCCVEGCSA-N 2 2 379.264 4.289 20 0 GIADLP Brc1cncc([C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)c1 ZINC000571151301 823141275 /nfs/dbraw/zinc/14/12/75/823141275.db2.gz ZMDDNADELKTHTC-KRWDZBQOSA-N 2 2 389.322 4.332 20 0 GIADLP CCOc1cc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc(Cl)c1O ZINC000459326816 823161776 /nfs/dbraw/zinc/16/17/76/823161776.db2.gz NMNSUGQLOSJHSZ-HNNXBMFYSA-N 2 2 375.900 4.082 20 0 GIADLP CCOc1cc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc(Cl)c1O ZINC000459326816 823161777 /nfs/dbraw/zinc/16/17/77/823161777.db2.gz NMNSUGQLOSJHSZ-HNNXBMFYSA-N 2 2 375.900 4.082 20 0 GIADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000121339185 823165948 /nfs/dbraw/zinc/16/59/48/823165948.db2.gz MMRKXRDBVOARSD-GOSISDBHSA-N 2 2 396.510 4.312 20 0 GIADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000121339185 823165950 /nfs/dbraw/zinc/16/59/50/823165950.db2.gz MMRKXRDBVOARSD-GOSISDBHSA-N 2 2 396.510 4.312 20 0 GIADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000121339185 823165952 /nfs/dbraw/zinc/16/59/52/823165952.db2.gz MMRKXRDBVOARSD-GOSISDBHSA-N 2 2 396.510 4.312 20 0 GIADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000121339185 823165953 /nfs/dbraw/zinc/16/59/53/823165953.db2.gz MMRKXRDBVOARSD-GOSISDBHSA-N 2 2 396.510 4.312 20 0 GIADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1Sc1ccccc1 ZINC000459361998 823172236 /nfs/dbraw/zinc/17/22/36/823172236.db2.gz GEMNKONVJLIMPO-YTFSRNRJSA-N 2 2 393.556 4.359 20 0 GIADLP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000571928132 823255804 /nfs/dbraw/zinc/25/58/04/823255804.db2.gz BYLXVZMECWAXNJ-MAUKXSAKSA-N 2 2 396.457 4.052 20 0 GIADLP COc1cccc2c(N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc(C)[nH+]c12 ZINC000409642203 823271071 /nfs/dbraw/zinc/27/10/71/823271071.db2.gz RMOMMHHXAJERFI-QGZVFWFLSA-N 2 2 376.504 4.469 20 0 GIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N(C)[C@H](C)c3ccccc3)C2)s1 ZINC000572124692 823286587 /nfs/dbraw/zinc/28/65/87/823286587.db2.gz ASYMGJPCCGXXDV-UXHICEINSA-N 2 2 399.604 4.030 20 0 GIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N(C)[C@H](C)c3ccccc3)C2)s1 ZINC000572124692 823286593 /nfs/dbraw/zinc/28/65/93/823286593.db2.gz ASYMGJPCCGXXDV-UXHICEINSA-N 2 2 399.604 4.030 20 0 GIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)[C@H](C)c3ccccc3)C2)s1 ZINC000572124692 823286600 /nfs/dbraw/zinc/28/66/00/823286600.db2.gz ASYMGJPCCGXXDV-UXHICEINSA-N 2 2 399.604 4.030 20 0 GIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)[C@H](C)c3ccccc3)C2)s1 ZINC000572124692 823286607 /nfs/dbraw/zinc/28/66/07/823286607.db2.gz ASYMGJPCCGXXDV-UXHICEINSA-N 2 2 399.604 4.030 20 0 GIADLP Cc1cccc2c1OCC[C@H]2[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000188880180 823321809 /nfs/dbraw/zinc/32/18/09/823321809.db2.gz KAUWHJADHLKGCR-HXUWFJFHSA-N 2 2 385.939 4.014 20 0 GIADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(F)c1 ZINC000057889423 823345283 /nfs/dbraw/zinc/34/52/83/823345283.db2.gz AVVCQXRJLDIEKZ-SFHVURJKSA-N 2 2 375.532 4.049 20 0 GIADLP Cc1sc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(C)c1C ZINC000460351178 823361096 /nfs/dbraw/zinc/36/10/96/823361096.db2.gz SFTDPVXRWALGQN-HZPDHXFCSA-N 2 2 399.604 4.358 20 0 GIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cncc(Br)c1 ZINC000572617809 823370173 /nfs/dbraw/zinc/37/01/73/823370173.db2.gz IRYNDTWAOZVRFT-CABCVRRESA-N 2 2 389.341 4.115 20 0 GIADLP CC[N@H+](CC1(SC)CCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000572688314 823383048 /nfs/dbraw/zinc/38/30/48/823383048.db2.gz HQBKGPUJSSRWBM-UHFFFAOYSA-N 2 2 376.614 4.485 20 0 GIADLP CC[N@@H+](CC1(SC)CCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000572688314 823383053 /nfs/dbraw/zinc/38/30/53/823383053.db2.gz HQBKGPUJSSRWBM-UHFFFAOYSA-N 2 2 376.614 4.485 20 0 GIADLP C[NH+]1CCC(CNC(=O)C(C)(C)CCCc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000460483600 823404068 /nfs/dbraw/zinc/40/40/68/823404068.db2.gz RPJQEWNAJQAGRX-UHFFFAOYSA-N 2 2 399.623 4.102 20 0 GIADLP C[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911341 823512727 /nfs/dbraw/zinc/51/27/27/823512727.db2.gz LHWQNSJQXLENRU-KUHUBIRLSA-N 2 2 386.293 4.019 20 0 GIADLP CCCc1cccc(C(C)C)c1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000189953994 823517432 /nfs/dbraw/zinc/51/74/32/823517432.db2.gz FFCDULNBXHSREA-UHFFFAOYSA-N 2 2 388.600 4.252 20 0 GIADLP CCCc1cccc(C(C)C)c1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189953994 823517433 /nfs/dbraw/zinc/51/74/33/823517433.db2.gz FFCDULNBXHSREA-UHFFFAOYSA-N 2 2 388.600 4.252 20 0 GIADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)C[C@@H](C)O1 ZINC000060368410 823520515 /nfs/dbraw/zinc/52/05/15/823520515.db2.gz CEDGNBIAFPVZLS-IAGOWNOFSA-N 2 2 377.598 4.122 20 0 GIADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000123702439 823533123 /nfs/dbraw/zinc/53/31/23/823533123.db2.gz LSXMEOGMWGMYBQ-OAHLLOKOSA-N 2 2 398.894 4.041 20 0 GIADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2Br)C1 ZINC000041651875 821215938 /nfs/dbraw/zinc/21/59/38/821215938.db2.gz ISGLRIQTWKEOIT-NWDGAFQWSA-N 2 2 390.163 4.204 20 0 GIADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2Br)C1 ZINC000041651875 821215943 /nfs/dbraw/zinc/21/59/43/821215943.db2.gz ISGLRIQTWKEOIT-NWDGAFQWSA-N 2 2 390.163 4.204 20 0 GIADLP C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180902038 821526037 /nfs/dbraw/zinc/52/60/37/821526037.db2.gz BMVWUBDOFBJZKA-HNNXBMFYSA-N 2 2 393.878 4.469 20 0 GIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000181204677 821695763 /nfs/dbraw/zinc/69/57/63/821695763.db2.gz NMZMGMMPRFONMX-GOSISDBHSA-N 2 2 398.620 4.010 20 0 GIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000181280991 821732188 /nfs/dbraw/zinc/73/21/88/821732188.db2.gz MKIOVAASHGEBPA-LPHOPBHVSA-N 2 2 393.453 4.023 20 0 GIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000181280991 821732196 /nfs/dbraw/zinc/73/21/96/821732196.db2.gz MKIOVAASHGEBPA-LPHOPBHVSA-N 2 2 393.453 4.023 20 0 GIADLP CC(C)c1cccc(-c2ccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)o2)c1 ZINC000181344054 821774488 /nfs/dbraw/zinc/77/44/88/821774488.db2.gz SZWMDRWWSROHPC-UHFFFAOYSA-N 2 2 397.563 4.168 20 0 GIADLP CC(C)c1cccc(-c2ccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)o2)c1 ZINC000181344054 821774499 /nfs/dbraw/zinc/77/44/99/821774499.db2.gz SZWMDRWWSROHPC-UHFFFAOYSA-N 2 2 397.563 4.168 20 0 GIADLP COCc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)ccc1OC ZINC000181591996 821893943 /nfs/dbraw/zinc/89/39/43/821893943.db2.gz RBRPWFMCMYLEBH-ZWKOTPCHSA-N 2 2 383.536 4.113 20 0 GIADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)CCCO2 ZINC000181593129 821894563 /nfs/dbraw/zinc/89/45/63/821894563.db2.gz ZNFQNWGTTTYQGT-JTSKRJEESA-N 2 2 381.520 4.119 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)cc1 ZINC000181764689 821982306 /nfs/dbraw/zinc/98/23/06/821982306.db2.gz IJKXJSWUMFOYHS-HNNXBMFYSA-N 2 2 393.441 4.495 20 0 GIADLP Cc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1Oc1cccnc1 ZINC000182090506 822089714 /nfs/dbraw/zinc/08/97/14/822089714.db2.gz LHACJODEWKZUIL-LJQANCHMSA-N 2 2 376.504 4.371 20 0 GIADLP Cc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1Oc1cccnc1 ZINC000182090506 822089722 /nfs/dbraw/zinc/08/97/22/822089722.db2.gz LHACJODEWKZUIL-LJQANCHMSA-N 2 2 376.504 4.371 20 0 GIADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182092923 822090774 /nfs/dbraw/zinc/09/07/74/822090774.db2.gz GHPJVLKXGQWIFH-QFIPXVFZSA-N 2 2 391.563 4.045 20 0 GIADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182092923 822090782 /nfs/dbraw/zinc/09/07/82/822090782.db2.gz GHPJVLKXGQWIFH-QFIPXVFZSA-N 2 2 391.563 4.045 20 0 GIADLP Oc1c(Cl)cccc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000182577877 822309942 /nfs/dbraw/zinc/30/99/42/822309942.db2.gz OQWDIXDVRFHLAV-UHFFFAOYSA-N 2 2 388.939 4.207 20 0 GIADLP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000178626687 822397405 /nfs/dbraw/zinc/39/74/05/822397405.db2.gz UEIOXGRCEVISEU-GOSISDBHSA-N 2 2 385.515 4.491 20 0 GIADLP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806871 822415186 /nfs/dbraw/zinc/41/51/86/822415186.db2.gz IVFOWSXMCASAQA-KRWDZBQOSA-N 2 2 377.960 4.255 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cn(-c3ccc(Cl)cc3)nn2)cc1 ZINC000183138601 822429589 /nfs/dbraw/zinc/42/95/89/822429589.db2.gz MPYRURRODOLVCO-OAHLLOKOSA-N 2 2 392.894 4.266 20 0 GIADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)cs2)cc1 ZINC000179430769 822481792 /nfs/dbraw/zinc/48/17/92/822481792.db2.gz ZENIXYYRJAMBNP-INIZCTEOSA-N 2 2 382.533 4.007 20 0 GIADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)cs2)cc1 ZINC000179430769 822481793 /nfs/dbraw/zinc/48/17/93/822481793.db2.gz ZENIXYYRJAMBNP-INIZCTEOSA-N 2 2 382.533 4.007 20 0 GIADLP CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1nccs1 ZINC000179600390 822510500 /nfs/dbraw/zinc/51/05/00/822510500.db2.gz FANJEBVRFNAPCQ-MAUKXSAKSA-N 2 2 383.521 4.033 20 0 GIADLP Cc1cccn2cc(COc3ccc(C[NH+]4CCC([NH2+]C(C)C)CC4)cc3)nc12 ZINC000179836537 822563266 /nfs/dbraw/zinc/56/32/66/822563266.db2.gz XKXFBLLNSVWQOR-UHFFFAOYSA-N 2 2 392.547 4.184 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1nc2ccccc2n1C ZINC000179997832 822592939 /nfs/dbraw/zinc/59/29/39/822592939.db2.gz YXFWKZKPHGNNCS-OTWHNJEPSA-N 2 2 392.547 4.033 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1nc2ccccc2n1C ZINC000179997832 822592943 /nfs/dbraw/zinc/59/29/43/822592943.db2.gz YXFWKZKPHGNNCS-OTWHNJEPSA-N 2 2 392.547 4.033 20 0 GIADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000047723547 822603858 /nfs/dbraw/zinc/60/38/58/822603858.db2.gz FTVCXSUKZDOZAV-KRWDZBQOSA-N 2 2 377.492 4.253 20 0 GIADLP Cc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)[nH+]c1 ZINC000180149067 822626936 /nfs/dbraw/zinc/62/69/36/822626936.db2.gz ILUVKEYEXCTUPH-CWAQXLGLSA-N 3 2 390.575 4.144 20 0 GIADLP Cc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)[nH+]c1 ZINC000180149067 822626937 /nfs/dbraw/zinc/62/69/37/822626937.db2.gz ILUVKEYEXCTUPH-CWAQXLGLSA-N 3 2 390.575 4.144 20 0 GIADLP C[N@@H+](Cc1c(C2CC2)nc2sccn12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180196906 822637450 /nfs/dbraw/zinc/63/74/50/822637450.db2.gz CHMCJONOJJFDNE-GOSISDBHSA-N 2 2 380.561 4.227 20 0 GIADLP C[N@H+](Cc1c(C2CC2)nc2sccn12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180196906 822637452 /nfs/dbraw/zinc/63/74/52/822637452.db2.gz CHMCJONOJJFDNE-GOSISDBHSA-N 2 2 380.561 4.227 20 0 GIADLP C[NH+](Cc1c(C2CC2)nc2sccn12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180196906 822637454 /nfs/dbraw/zinc/63/74/54/822637454.db2.gz CHMCJONOJJFDNE-GOSISDBHSA-N 2 2 380.561 4.227 20 0 GIADLP C[NH+](Cc1c(C2CC2)nc2sccn12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180196906 822637455 /nfs/dbraw/zinc/63/74/55/822637455.db2.gz CHMCJONOJJFDNE-GOSISDBHSA-N 2 2 380.561 4.227 20 0 GIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180215261 822640971 /nfs/dbraw/zinc/64/09/71/822640971.db2.gz DBAUYFPRRXMWDX-HNNXBMFYSA-N 2 2 376.342 4.161 20 0 GIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180215261 822640974 /nfs/dbraw/zinc/64/09/74/822640974.db2.gz DBAUYFPRRXMWDX-HNNXBMFYSA-N 2 2 376.342 4.161 20 0 GIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180215261 822640980 /nfs/dbraw/zinc/64/09/80/822640980.db2.gz DBAUYFPRRXMWDX-HNNXBMFYSA-N 2 2 376.342 4.161 20 0 GIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180215261 822640983 /nfs/dbraw/zinc/64/09/83/822640983.db2.gz DBAUYFPRRXMWDX-HNNXBMFYSA-N 2 2 376.342 4.161 20 0 GIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185141406 822742002 /nfs/dbraw/zinc/74/20/02/822742002.db2.gz XGYMERTUGRRRDA-UHFFFAOYSA-N 2 2 392.503 4.414 20 0 GIADLP COc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1F ZINC000185308522 822763460 /nfs/dbraw/zinc/76/34/60/822763460.db2.gz LMTBTMHLJBPMED-QZTJIDSGSA-N 2 2 385.527 4.223 20 0 GIADLP CC1CC[NH+](Cc2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)CC1 ZINC000053619162 822843056 /nfs/dbraw/zinc/84/30/56/822843056.db2.gz PDJYCXUHXCKWFV-UHFFFAOYSA-N 2 2 388.515 4.416 20 0 GIADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000456978688 822844360 /nfs/dbraw/zinc/84/43/60/822844360.db2.gz AFLXCEPHFBUKBY-RUZDIDTESA-N 2 2 399.538 4.105 20 0 GIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000456978688 822844364 /nfs/dbraw/zinc/84/43/64/822844364.db2.gz AFLXCEPHFBUKBY-RUZDIDTESA-N 2 2 399.538 4.105 20 0 GIADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000456978689 822844405 /nfs/dbraw/zinc/84/44/05/822844405.db2.gz AFLXCEPHFBUKBY-VWLOTQADSA-N 2 2 399.538 4.105 20 0 GIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000456978689 822844408 /nfs/dbraw/zinc/84/44/08/822844408.db2.gz AFLXCEPHFBUKBY-VWLOTQADSA-N 2 2 399.538 4.105 20 0 GIADLP Cc1oc2ccccc2c1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000186135580 822854595 /nfs/dbraw/zinc/85/45/95/822854595.db2.gz ZXHNODXTGQMHES-LEWJYISDSA-N 2 2 397.563 4.150 20 0 GIADLP Cc1oc2ccccc2c1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000186135580 822854599 /nfs/dbraw/zinc/85/45/99/822854599.db2.gz ZXHNODXTGQMHES-LEWJYISDSA-N 2 2 397.563 4.150 20 0 GIADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)OC(C)C ZINC000186379587 822884931 /nfs/dbraw/zinc/88/49/31/822884931.db2.gz HKVNDDHJDHOCKO-UCFCWBNQSA-N 2 2 397.563 4.057 20 0 GIADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)OC(C)C ZINC000186379587 822884935 /nfs/dbraw/zinc/88/49/35/822884935.db2.gz HKVNDDHJDHOCKO-UCFCWBNQSA-N 2 2 397.563 4.057 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000186645131 822928903 /nfs/dbraw/zinc/92/89/03/822928903.db2.gz VYYFWFDEAJFLLQ-WAIKUNEKSA-N 2 2 389.478 4.494 20 0 GIADLP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cc2c(ccc3ccccc23)o1 ZINC000569687273 822955476 /nfs/dbraw/zinc/95/54/76/822955476.db2.gz YLWOOUCLMBQAQN-AWEZNQCLSA-N 2 2 375.476 4.022 20 0 GIADLP Cn1cc([C@@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c2ccccc2)cn1 ZINC000569891935 822981593 /nfs/dbraw/zinc/98/15/93/822981593.db2.gz HCZQSINOGNWJEI-RDGATRHJSA-N 2 2 388.559 4.401 20 0 GIADLP Cn1cc([C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cn1 ZINC000569891935 822981595 /nfs/dbraw/zinc/98/15/95/822981595.db2.gz HCZQSINOGNWJEI-RDGATRHJSA-N 2 2 388.559 4.401 20 0 GIADLP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCS2 ZINC000187024982 822999733 /nfs/dbraw/zinc/99/97/33/822999733.db2.gz PSBWSLZOJICAJQ-JOCHJYFZSA-N 2 2 382.573 4.462 20 0 GIADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000061012152 823572642 /nfs/dbraw/zinc/57/26/42/823572642.db2.gz NODRVZBFVAYODH-UHFFFAOYSA-N 2 2 383.367 4.224 20 0 GIADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(Cl)c3Cl)cc2)CC1 ZINC000061069988 823576788 /nfs/dbraw/zinc/57/67/88/823576788.db2.gz MZNYXDDFISHNTK-UHFFFAOYSA-N 2 2 392.374 4.421 20 0 GIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1C ZINC000411481440 823579996 /nfs/dbraw/zinc/57/99/96/823579996.db2.gz XMEGJOOJSNPYGH-HOCLYGCPSA-N 2 2 392.503 4.250 20 0 GIADLP C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124342149 823588765 /nfs/dbraw/zinc/58/87/65/823588765.db2.gz ZOZZIRWWYJAKOB-GOSISDBHSA-N 2 2 394.544 4.383 20 0 GIADLP C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124342149 823588767 /nfs/dbraw/zinc/58/87/67/823588767.db2.gz ZOZZIRWWYJAKOB-GOSISDBHSA-N 2 2 394.544 4.383 20 0 GIADLP CN(C(=O)c1cccc2ccccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124560524 823606550 /nfs/dbraw/zinc/60/65/50/823606550.db2.gz QLOOEULJVZGRQI-ZEQRLZLVSA-N 2 2 393.575 4.249 20 0 GIADLP CN(C(=O)c1cccc2ccccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124560524 823606551 /nfs/dbraw/zinc/60/65/51/823606551.db2.gz QLOOEULJVZGRQI-ZEQRLZLVSA-N 2 2 393.575 4.249 20 0 GIADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000191273536 823666127 /nfs/dbraw/zinc/66/61/27/823666127.db2.gz YXOTXEUISKUKPU-UHFFFAOYSA-N 2 2 395.794 4.143 20 0 GIADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2csc(-c3ccco3)n2)CC1 ZINC000124776828 823625437 /nfs/dbraw/zinc/62/54/37/823625437.db2.gz BQZKNEDKSQKFLF-UHFFFAOYSA-N 2 2 396.560 4.225 20 0 GIADLP C[C@H](c1nnc(SCC[C@@H]2CCC[N@@H+]2C)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000125075367 823650149 /nfs/dbraw/zinc/65/01/49/823650149.db2.gz PTPJTGPANKSAEL-MOPGFXCFSA-N 2 2 399.608 4.391 20 0 GIADLP C[C@H](c1nnc(SCC[C@@H]2CCC[N@H+]2C)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000125075367 823650152 /nfs/dbraw/zinc/65/01/52/823650152.db2.gz PTPJTGPANKSAEL-MOPGFXCFSA-N 2 2 399.608 4.391 20 0 GIADLP CCC[NH+]1CCC(NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000461794418 823696296 /nfs/dbraw/zinc/69/62/96/823696296.db2.gz ARUGKDSZTAPYCS-QFIPXVFZSA-N 2 2 383.605 4.312 20 0 GIADLP CCC[NH+]1CCC(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000461794418 823696297 /nfs/dbraw/zinc/69/62/97/823696297.db2.gz ARUGKDSZTAPYCS-QFIPXVFZSA-N 2 2 383.605 4.312 20 0 GIADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1Br ZINC000191537559 823697401 /nfs/dbraw/zinc/69/74/01/823697401.db2.gz CWKDSCYTZRGHKX-LPHOPBHVSA-N 2 2 388.353 4.153 20 0 GIADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1Br ZINC000191537559 823697402 /nfs/dbraw/zinc/69/74/02/823697402.db2.gz CWKDSCYTZRGHKX-LPHOPBHVSA-N 2 2 388.353 4.153 20 0 GIADLP C[C@@H](OCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1 ZINC000163382701 823705351 /nfs/dbraw/zinc/70/53/51/823705351.db2.gz OPUBAGDZZWYCHQ-HXUWFJFHSA-N 2 2 381.564 4.479 20 0 GIADLP c1csc(C2([NH2+]CCC[NH2+]C3(c4nccs4)CCCC3)CCCC2)n1 ZINC000163556684 823721471 /nfs/dbraw/zinc/72/14/71/823721471.db2.gz OBMMIRRNFVMYQV-UHFFFAOYSA-N 2 2 376.595 4.408 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1C(F)(F)F ZINC000163724473 823742263 /nfs/dbraw/zinc/74/22/63/823742263.db2.gz KIOBIROZMGBABG-MRXNPFEDSA-N 2 2 378.438 4.388 20 0 GIADLP COc1cc(OC)c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(OC)c1 ZINC000164418175 823802235 /nfs/dbraw/zinc/80/22/35/823802235.db2.gz GPRVFDKZAYLFRF-HNNXBMFYSA-N 2 2 381.476 4.057 20 0 GIADLP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000164963808 823827347 /nfs/dbraw/zinc/82/73/47/823827347.db2.gz HMHQZGCAAHZEQE-XUZZJYLKSA-N 3 2 397.632 4.428 20 0 GIADLP C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000164963808 823827354 /nfs/dbraw/zinc/82/73/54/823827354.db2.gz HMHQZGCAAHZEQE-XUZZJYLKSA-N 3 2 397.632 4.428 20 0 GIADLP CC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3C(F)(F)F)nc2)CC1 ZINC000462105251 823829284 /nfs/dbraw/zinc/82/92/84/823829284.db2.gz OKTSRYUVOBBOIW-UHFFFAOYSA-N 2 2 379.426 4.467 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(Br)s2)cn1 ZINC000126337318 823842929 /nfs/dbraw/zinc/84/29/29/823842929.db2.gz YOBYSHFZDALWMS-NSHDSACASA-N 2 2 377.311 4.251 20 0 GIADLP Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000167200804 823889002 /nfs/dbraw/zinc/88/90/02/823889002.db2.gz QXSPCYLNTQLECJ-WOJBJXKFSA-N 2 2 391.515 4.447 20 0 GIADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000414057069 823897499 /nfs/dbraw/zinc/89/74/99/823897499.db2.gz FDQTZMFUSSKCLZ-MRXNPFEDSA-N 2 2 387.549 4.012 20 0 GIADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]Cc3cccc(-c4cccnc4)c3)C2)cc1 ZINC000192355462 823958119 /nfs/dbraw/zinc/95/81/19/823958119.db2.gz FNMYMXYCIMZWFP-RUZDIDTESA-N 2 2 387.527 4.129 20 0 GIADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]Cc3cccc(-c4cccnc4)c3)C2)cc1 ZINC000192355462 823958127 /nfs/dbraw/zinc/95/81/27/823958127.db2.gz FNMYMXYCIMZWFP-RUZDIDTESA-N 2 2 387.527 4.129 20 0 GIADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C(C)C)[nH+]c(C)n2)CC3)cs1 ZINC001164694359 719804260 /nfs/dbraw/zinc/80/42/60/719804260.db2.gz XRWZVOABDCQLCA-UHFFFAOYSA-N 2 2 385.581 4.308 20 0 GIADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C(C)C)[nH+]c(C)n2)CC3)cs1 ZINC001164694359 719804262 /nfs/dbraw/zinc/80/42/62/719804262.db2.gz XRWZVOABDCQLCA-UHFFFAOYSA-N 2 2 385.581 4.308 20 0 GIADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3cccc(C)c3[nH+]1)C2 ZINC001164808597 720076438 /nfs/dbraw/zinc/07/64/38/720076438.db2.gz IHJWFLPOJBCULW-YKSBVNFPSA-N 2 2 379.548 4.036 20 0 GIADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3cccc(C)c3[nH+]1)C2 ZINC001164808597 720076444 /nfs/dbraw/zinc/07/64/44/720076444.db2.gz IHJWFLPOJBCULW-YKSBVNFPSA-N 2 2 379.548 4.036 20 0 GIADLP Cc1cccc2cc[nH+]c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164906520 721560654 /nfs/dbraw/zinc/56/06/54/721560654.db2.gz JRVUNEHZCKBGNQ-PZJWPPBQSA-N 2 2 377.463 4.024 20 0 GIADLP Cc1cccc2cc[nH+]c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164906520 721560661 /nfs/dbraw/zinc/56/06/61/721560661.db2.gz JRVUNEHZCKBGNQ-PZJWPPBQSA-N 2 2 377.463 4.024 20 0 GIADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc(C(C)C)[nH+]1 ZINC001165025799 721802199 /nfs/dbraw/zinc/80/21/99/721802199.db2.gz OYCGETGZFUSMNX-VCOUNFBDSA-N 2 2 379.552 4.040 20 0 GIADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc(C(C)C)[nH+]1 ZINC001165025799 721802200 /nfs/dbraw/zinc/80/22/00/721802200.db2.gz OYCGETGZFUSMNX-VCOUNFBDSA-N 2 2 379.552 4.040 20 0 GIADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCCS2 ZINC000187793286 823134217 /nfs/dbraw/zinc/13/42/17/823134217.db2.gz AFULYKVGDCUSDY-QFIPXVFZSA-N 2 2 398.572 4.244 20 0 GIADLP COc1cccc2c(N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc(C)[nH+]c12 ZINC000409642202 823271151 /nfs/dbraw/zinc/27/11/51/823271151.db2.gz RMOMMHHXAJERFI-KRWDZBQOSA-N 2 2 376.504 4.469 20 0 GIADLP Cc1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000572090098 823281783 /nfs/dbraw/zinc/28/17/83/823281783.db2.gz SQEDUFGAFVHBGD-FOIQADDNSA-N 2 2 388.353 4.153 20 0 GIADLP Cc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000572090098 823281784 /nfs/dbraw/zinc/28/17/84/823281784.db2.gz SQEDUFGAFVHBGD-FOIQADDNSA-N 2 2 388.353 4.153 20 0 GIADLP CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000057622798 823316018 /nfs/dbraw/zinc/31/60/18/823316018.db2.gz GPJQIXMOHWHRMT-UHFFFAOYSA-N 2 2 377.488 4.228 20 0 GIADLP CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000057622798 823316024 /nfs/dbraw/zinc/31/60/24/823316024.db2.gz GPJQIXMOHWHRMT-UHFFFAOYSA-N 2 2 377.488 4.228 20 0 GIADLP COCCOc1ccc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000122331908 823339540 /nfs/dbraw/zinc/33/95/40/823339540.db2.gz XLIUKXFHNHWMCI-IBGZPJMESA-N 2 2 397.563 4.097 20 0 GIADLP COCc1cc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)ccc1OC ZINC000122348009 823341815 /nfs/dbraw/zinc/34/18/15/823341815.db2.gz MKBHYFBIVHQVNH-GOSISDBHSA-N 2 2 397.563 4.227 20 0 GIADLP CCCCCOc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1OC ZINC000057963426 823351057 /nfs/dbraw/zinc/35/10/57/823351057.db2.gz FRMVRDRXRFESTF-UHFFFAOYSA-N 2 2 383.536 4.418 20 0 GIADLP Fc1ccc([C@H](C[C@H]2CCCO2)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000572532682 823355835 /nfs/dbraw/zinc/35/58/35/823355835.db2.gz ZXVZOEPKIAUCEZ-PKTZIBPZSA-N 2 2 379.479 4.471 20 0 GIADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000177343621 823440406 /nfs/dbraw/zinc/44/04/06/823440406.db2.gz KFJOLFXFAZLUDL-JOCHJYFZSA-N 2 2 383.511 4.189 20 0 GIADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000177343621 823440410 /nfs/dbraw/zinc/44/04/10/823440410.db2.gz KFJOLFXFAZLUDL-JOCHJYFZSA-N 2 2 383.511 4.189 20 0 GIADLP C[NH2+]C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000573323759 823480084 /nfs/dbraw/zinc/48/00/84/823480084.db2.gz XRFNBVBEEZOWCF-UHFFFAOYSA-N 2 2 394.950 4.436 20 0 GIADLP CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000031202133 820768390 /nfs/dbraw/zinc/76/83/90/820768390.db2.gz FIIZVVCDQQTQOH-UHFFFAOYSA-N 2 2 388.515 4.034 20 0 GIADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c(Cl)nc21 ZINC000180781330 821453964 /nfs/dbraw/zinc/45/39/64/821453964.db2.gz XVVZIOSBPFGMJC-BEFAXECRSA-N 2 2 387.959 4.114 20 0 GIADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c(Cl)nc21 ZINC000180781330 821453968 /nfs/dbraw/zinc/45/39/68/821453968.db2.gz XVVZIOSBPFGMJC-BEFAXECRSA-N 2 2 387.959 4.114 20 0 GIADLP CC(C)n1ncc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c(Cl)nc21 ZINC000180781330 821453972 /nfs/dbraw/zinc/45/39/72/821453972.db2.gz XVVZIOSBPFGMJC-BEFAXECRSA-N 2 2 387.959 4.114 20 0 GIADLP CC(C)n1ncc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c(Cl)nc21 ZINC000180781330 821453975 /nfs/dbraw/zinc/45/39/75/821453975.db2.gz XVVZIOSBPFGMJC-BEFAXECRSA-N 2 2 387.959 4.114 20 0 GIADLP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181100521 821631905 /nfs/dbraw/zinc/63/19/05/821631905.db2.gz DIRPJPFEUWKNNL-GOSISDBHSA-N 2 2 378.476 4.025 20 0 GIADLP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181100521 821631914 /nfs/dbraw/zinc/63/19/14/821631914.db2.gz DIRPJPFEUWKNNL-GOSISDBHSA-N 2 2 378.476 4.025 20 0 GIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(Br)c1 ZINC000181568688 821883615 /nfs/dbraw/zinc/88/36/15/821883615.db2.gz QEVKMNRSRDQRMX-CQSZACIVSA-N 2 2 386.293 4.494 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000181586085 821891076 /nfs/dbraw/zinc/89/10/76/821891076.db2.gz BOZCJSBBWQSLJK-PMACEKPBSA-N 2 2 389.547 4.203 20 0 GIADLP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1OC ZINC000181593700 821894664 /nfs/dbraw/zinc/89/46/64/821894664.db2.gz HCCNQYKUMHQXGB-ROUUACIJSA-N 2 2 383.536 4.283 20 0 GIADLP COCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000178327311 822367546 /nfs/dbraw/zinc/36/75/46/822367546.db2.gz LHEJRJXTFGMPGM-OAQYLSRUSA-N 2 2 390.474 4.078 20 0 GIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](c2ccco2)c2ccccc2)CC1 ZINC000183365613 822464366 /nfs/dbraw/zinc/46/43/66/822464366.db2.gz GEAGAQKTAMLVPB-RUZDIDTESA-N 2 2 389.543 4.296 20 0 GIADLP COc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)cc1Br ZINC000179469706 822487258 /nfs/dbraw/zinc/48/72/58/822487258.db2.gz OZRSWSVJHYRIDX-IBGZPJMESA-N 2 2 386.293 4.033 20 0 GIADLP CC(C)C[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1nccs1 ZINC000179600414 822510484 /nfs/dbraw/zinc/51/04/84/822510484.db2.gz FANJEBVRFNAPCQ-CRAIPNDOSA-N 2 2 383.521 4.033 20 0 GIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180207408 822639616 /nfs/dbraw/zinc/63/96/16/822639616.db2.gz MCRNFQNOQMFDBB-OAHLLOKOSA-N 2 2 376.342 4.161 20 0 GIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180207408 822639617 /nfs/dbraw/zinc/63/96/17/822639617.db2.gz MCRNFQNOQMFDBB-OAHLLOKOSA-N 2 2 376.342 4.161 20 0 GIADLP Cc1ccc(-c2ccsc2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050800898 822739161 /nfs/dbraw/zinc/73/91/61/822739161.db2.gz YAUHPUOXSDLWTH-UHFFFAOYSA-N 2 2 397.588 4.012 20 0 GIADLP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000174409548 822786348 /nfs/dbraw/zinc/78/63/48/822786348.db2.gz BZFASFGPEAHTTK-FQEVSTJZSA-N 2 2 397.906 4.373 20 0 GIADLP Cc1oc2ccccc2c1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000186135598 822854551 /nfs/dbraw/zinc/85/45/51/822854551.db2.gz ZXHNODXTGQMHES-SFTDATJTSA-N 2 2 397.563 4.150 20 0 GIADLP Cc1oc2ccccc2c1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000186135598 822854554 /nfs/dbraw/zinc/85/45/54/822854554.db2.gz ZXHNODXTGQMHES-SFTDATJTSA-N 2 2 397.563 4.150 20 0 GIADLP O=C(CC[NH+]1CCC(Nc2cccc[nH+]2)CC1)Nc1cc(Cl)ccc1Cl ZINC000569079252 822877913 /nfs/dbraw/zinc/87/79/13/822877913.db2.gz WVSMEWPNMMNSTO-UHFFFAOYSA-N 2 2 393.318 4.294 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000186645098 822928831 /nfs/dbraw/zinc/92/88/31/822928831.db2.gz VYYFWFDEAJFLLQ-MWTRTKDXSA-N 2 2 389.478 4.494 20 0 GIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000061012597 823572602 /nfs/dbraw/zinc/57/26/02/823572602.db2.gz HHHNNEXRSDJIEF-FQEVSTJZSA-N 2 2 380.561 4.234 20 0 GIADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000061012597 823572603 /nfs/dbraw/zinc/57/26/03/823572603.db2.gz HHHNNEXRSDJIEF-FQEVSTJZSA-N 2 2 380.561 4.234 20 0 GIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000411434739 823573978 /nfs/dbraw/zinc/57/39/78/823573978.db2.gz ZJTHNJNVIKHATF-AWEZNQCLSA-N 2 2 395.334 4.010 20 0 GIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000411434739 823573979 /nfs/dbraw/zinc/57/39/79/823573979.db2.gz ZJTHNJNVIKHATF-AWEZNQCLSA-N 2 2 395.334 4.010 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2ncco2)cc1F ZINC000411552179 823587652 /nfs/dbraw/zinc/58/76/52/823587652.db2.gz OMMRLSAAAWOUKM-VGOFRKELSA-N 2 2 379.479 4.481 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2ncco2)cc1F ZINC000411552179 823587655 /nfs/dbraw/zinc/58/76/55/823587655.db2.gz OMMRLSAAAWOUKM-VGOFRKELSA-N 2 2 379.479 4.481 20 0 GIADLP Cn1cc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)c2ccc(F)cc2)cn1 ZINC000411553588 823587740 /nfs/dbraw/zinc/58/77/40/823587740.db2.gz JHKGNVXVAYDOGF-DEOSSOPVSA-N 2 2 392.522 4.424 20 0 GIADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124465724 823598818 /nfs/dbraw/zinc/59/88/18/823598818.db2.gz VYZFEWNYSMRAFE-CYBMUJFWSA-N 2 2 379.386 4.035 20 0 GIADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124465724 823598822 /nfs/dbraw/zinc/59/88/22/823598822.db2.gz VYZFEWNYSMRAFE-CYBMUJFWSA-N 2 2 379.386 4.035 20 0 GIADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124668856 823615749 /nfs/dbraw/zinc/61/57/49/823615749.db2.gz BRWKZKRWWSFGJA-GOTSBHOMSA-N 2 2 385.596 4.219 20 0 GIADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124668856 823615750 /nfs/dbraw/zinc/61/57/50/823615750.db2.gz BRWKZKRWWSFGJA-GOTSBHOMSA-N 2 2 385.596 4.219 20 0 GIADLP COCC[NH+]1CCC([NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)CC1 ZINC000461407907 823630649 /nfs/dbraw/zinc/63/06/49/823630649.db2.gz QYDQLQVSQCRYIB-UHFFFAOYSA-N 2 2 392.902 4.472 20 0 GIADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000190993236 823635995 /nfs/dbraw/zinc/63/59/95/823635995.db2.gz GYWAXTOVAPZHFJ-JXFKEZNVSA-N 2 2 377.454 4.409 20 0 GIADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000190993236 823635996 /nfs/dbraw/zinc/63/59/96/823635996.db2.gz GYWAXTOVAPZHFJ-JXFKEZNVSA-N 2 2 377.454 4.409 20 0 GIADLP COCC[NH+]1CCC([NH2+][C@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000461788646 823695516 /nfs/dbraw/zinc/69/55/16/823695516.db2.gz AQODIUDXOOOFKE-QHCPKHFHSA-N 2 2 384.589 4.417 20 0 GIADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCCO2 ZINC000163688281 823737406 /nfs/dbraw/zinc/73/74/06/823737406.db2.gz IOUNKPHQIUAYON-OAQYLSRUSA-N 2 2 386.923 4.176 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)c1nc2ccccc2s1 ZINC000163722284 823741439 /nfs/dbraw/zinc/74/14/39/823741439.db2.gz RRKHFQCNSMTPEM-ROUUACIJSA-N 2 2 395.572 4.410 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1C(F)(F)F ZINC000163724354 823742098 /nfs/dbraw/zinc/74/20/98/823742098.db2.gz KIOBIROZMGBABG-INIZCTEOSA-N 2 2 378.438 4.388 20 0 GIADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1OC(F)F ZINC000163736521 823743332 /nfs/dbraw/zinc/74/33/32/823743332.db2.gz VLMRNGIGVNZNON-HXUWFJFHSA-N 2 2 390.474 4.361 20 0 GIADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCCO2 ZINC000163743073 823744298 /nfs/dbraw/zinc/74/42/98/823744298.db2.gz ZMCPOSXNHPNPJE-HSZRJFAPSA-N 2 2 380.532 4.139 20 0 GIADLP C[N@H+]1CC=C(C[NH2+][C@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000574762534 823820310 /nfs/dbraw/zinc/82/03/10/823820310.db2.gz WEMRDSOXSISZOY-SFHVURJKSA-N 2 2 379.273 4.122 20 0 GIADLP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000574762534 823820313 /nfs/dbraw/zinc/82/03/13/823820313.db2.gz WEMRDSOXSISZOY-SFHVURJKSA-N 2 2 379.273 4.122 20 0 GIADLP CC[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113588 823832174 /nfs/dbraw/zinc/83/21/74/823832174.db2.gz TXZJOQITIGZSBF-YLJYHZDGSA-N 3 2 383.502 4.162 20 0 GIADLP CC[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113588 823832184 /nfs/dbraw/zinc/83/21/84/823832184.db2.gz TXZJOQITIGZSBF-YLJYHZDGSA-N 3 2 383.502 4.162 20 0 GIADLP CN(C(=O)Nc1ccccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165540675 823853173 /nfs/dbraw/zinc/85/31/73/823853173.db2.gz FQGAKOVTTWARLJ-PMACEKPBSA-N 2 2 392.975 4.141 20 0 GIADLP CN(C(=O)Nc1ccccc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165540675 823853176 /nfs/dbraw/zinc/85/31/76/823853176.db2.gz FQGAKOVTTWARLJ-PMACEKPBSA-N 2 2 392.975 4.141 20 0 GIADLP CCc1nc2c(s1)[C@@H]([NH2+][C@@H](CC[N@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994193 823867947 /nfs/dbraw/zinc/86/79/47/823867947.db2.gz YAJDSCJFKFSKFY-OALUTQOASA-N 2 2 387.593 4.382 20 0 GIADLP CCc1nc2c(s1)[C@@H]([NH2+][C@@H](CC[N@@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994193 823867955 /nfs/dbraw/zinc/86/79/55/823867955.db2.gz YAJDSCJFKFSKFY-OALUTQOASA-N 2 2 387.593 4.382 20 0 GIADLP COc1ccccc1COC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000192142909 823877982 /nfs/dbraw/zinc/87/79/82/823877982.db2.gz BAUFYZYGKAHLLM-UHFFFAOYSA-N 2 2 391.515 4.371 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)cn1 ZINC000126484119 823880613 /nfs/dbraw/zinc/88/06/13/823880613.db2.gz YGYUJCRADVDLKL-GFCCVEGCSA-N 2 2 376.382 4.167 20 0 GIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000167848492 823897110 /nfs/dbraw/zinc/89/71/10/823897110.db2.gz OIFHDCVDWVFHIA-JKSUJKDBSA-N 2 2 388.943 4.171 20 0 GIADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]Cc3cccc(-c4cccnc4)c3)C2)cc1 ZINC000192355468 823957795 /nfs/dbraw/zinc/95/77/95/823957795.db2.gz FNMYMXYCIMZWFP-VWLOTQADSA-N 2 2 387.527 4.129 20 0 GIADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]Cc3cccc(-c4cccnc4)c3)C2)cc1 ZINC000192355468 823957803 /nfs/dbraw/zinc/95/78/03/823957803.db2.gz FNMYMXYCIMZWFP-VWLOTQADSA-N 2 2 387.527 4.129 20 0 GIADLP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccc1OCc1ccc(F)cc1 ZINC000126854623 823967353 /nfs/dbraw/zinc/96/73/53/823967353.db2.gz WOSDTQFPBWMQAP-KRWDZBQOSA-N 2 2 383.467 4.036 20 0 GIADLP [NH3+]C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C1CC1 ZINC000414807506 824037692 /nfs/dbraw/zinc/03/76/92/824037692.db2.gz RCOPZQITHVLVBX-SFHVURJKSA-N 2 2 378.303 4.073 20 0 GIADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(OCc3ccccn3)c2)cc1 ZINC000414893012 824046740 /nfs/dbraw/zinc/04/67/40/824046740.db2.gz JYBPOUHUMAWXES-ZEQRLZLVSA-N 2 2 391.490 4.035 20 0 GIADLP Cc1cc2ccccc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)[nH+]1 ZINC001164697608 719895738 /nfs/dbraw/zinc/89/57/38/719895738.db2.gz LXGVTYOIVUJXDF-UHFFFAOYSA-N 2 2 393.556 4.476 20 0 GIADLP Cc1cc2ccccc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH+]1 ZINC001164697608 719895739 /nfs/dbraw/zinc/89/57/39/719895739.db2.gz LXGVTYOIVUJXDF-UHFFFAOYSA-N 2 2 393.556 4.476 20 0 GIADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c2ccccc12 ZINC001164843060 720539505 /nfs/dbraw/zinc/53/95/05/720539505.db2.gz ZUEHJIYPADYXEG-MIZPHKNDSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c2ccccc12 ZINC001164843060 720539515 /nfs/dbraw/zinc/53/95/15/720539515.db2.gz ZUEHJIYPADYXEG-MIZPHKNDSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cc(C(C)C)[nH+]1 ZINC001164792893 721490585 /nfs/dbraw/zinc/49/05/85/721490585.db2.gz NLKFREDILIZXEQ-UHFFFAOYSA-N 2 2 379.552 4.184 20 0 GIADLP Cc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc(C(C)C)[nH+]1 ZINC001164792893 721490587 /nfs/dbraw/zinc/49/05/87/721490587.db2.gz NLKFREDILIZXEQ-UHFFFAOYSA-N 2 2 379.552 4.184 20 0 GIADLP Cc1cccc2cc[nH+]c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164906516 721561019 /nfs/dbraw/zinc/56/10/19/721561019.db2.gz JRVUNEHZCKBGNQ-CTNGQTDRSA-N 2 2 377.463 4.024 20 0 GIADLP Cc1cccc2cc[nH+]c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164906516 721561020 /nfs/dbraw/zinc/56/10/20/721561020.db2.gz JRVUNEHZCKBGNQ-CTNGQTDRSA-N 2 2 377.463 4.024 20 0 GIADLP CCSc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165021399 721829237 /nfs/dbraw/zinc/82/92/37/721829237.db2.gz FIFFIDWLQDWICF-DZFGPLHGSA-N 2 2 382.577 4.326 20 0 GIADLP CCSc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165021399 721829238 /nfs/dbraw/zinc/82/92/38/721829238.db2.gz FIFFIDWLQDWICF-DZFGPLHGSA-N 2 2 382.577 4.326 20 0 GIADLP OC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1F ZINC000570514902 823048574 /nfs/dbraw/zinc/04/85/74/823048574.db2.gz XTWWEIIPHVXUKF-FXAWDEMLSA-N 2 2 388.914 4.299 20 0 GIADLP OC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1F ZINC000570514902 823048578 /nfs/dbraw/zinc/04/85/78/823048578.db2.gz XTWWEIIPHVXUKF-FXAWDEMLSA-N 2 2 388.914 4.299 20 0 GIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000121287161 823155381 /nfs/dbraw/zinc/15/53/81/823155381.db2.gz NBVVUVCCGLGZKT-MRXNPFEDSA-N 2 2 385.533 4.020 20 0 GIADLP C[NH+]1CCC([NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000121325309 823163622 /nfs/dbraw/zinc/16/36/22/823163622.db2.gz UUAJIOCUABFDHE-LJQANCHMSA-N 2 2 377.301 4.361 20 0 GIADLP CC[NH+](CC)Cc1ccc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)cc1 ZINC000571362800 823171347 /nfs/dbraw/zinc/17/13/47/823171347.db2.gz VKJNWROGVTYUCB-UHFFFAOYSA-N 2 2 375.476 4.125 20 0 GIADLP C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442390 823192713 /nfs/dbraw/zinc/19/27/13/823192713.db2.gz JKMAPBLJWXXAHZ-UTKZUKDTSA-N 3 2 395.513 4.305 20 0 GIADLP C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442390 823192714 /nfs/dbraw/zinc/19/27/14/823192714.db2.gz JKMAPBLJWXXAHZ-UTKZUKDTSA-N 3 2 395.513 4.305 20 0 GIADLP Oc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1Br ZINC000459554914 823219286 /nfs/dbraw/zinc/21/92/86/823219286.db2.gz DNWAEVYURFAQPD-UHFFFAOYSA-N 2 2 378.314 4.044 20 0 GIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459662767 823244686 /nfs/dbraw/zinc/24/46/86/823244686.db2.gz NXUHETGZUXRTQK-LJQANCHMSA-N 2 2 393.453 4.362 20 0 GIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459662767 823244690 /nfs/dbraw/zinc/24/46/90/823244690.db2.gz NXUHETGZUXRTQK-LJQANCHMSA-N 2 2 393.453 4.362 20 0 GIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000188557335 823261794 /nfs/dbraw/zinc/26/17/94/823261794.db2.gz MYXMURUZZQFCSC-JTSKRJEESA-N 2 2 396.966 4.269 20 0 GIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000188557335 823261799 /nfs/dbraw/zinc/26/17/99/823261799.db2.gz MYXMURUZZQFCSC-JTSKRJEESA-N 2 2 396.966 4.269 20 0 GIADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000572327370 823321492 /nfs/dbraw/zinc/32/14/92/823321492.db2.gz DWYOGUPMTVCRJO-KRWDZBQOSA-N 2 2 377.492 4.030 20 0 GIADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000572327370 823321498 /nfs/dbraw/zinc/32/14/98/823321498.db2.gz DWYOGUPMTVCRJO-KRWDZBQOSA-N 2 2 377.492 4.030 20 0 GIADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)CCCO2 ZINC000122326367 823338452 /nfs/dbraw/zinc/33/84/52/823338452.db2.gz FXLQSOXULDFDCP-QHCPKHFHSA-N 2 2 395.547 4.234 20 0 GIADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000572491960 823349328 /nfs/dbraw/zinc/34/93/28/823349328.db2.gz AFNNUIFOVJUEJB-SFTDATJTSA-N 2 2 375.472 4.144 20 0 GIADLP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521289 823353526 /nfs/dbraw/zinc/35/35/26/823353526.db2.gz CLVDYUCEYIEBAI-DHIUTWEWSA-N 2 2 381.539 4.215 20 0 GIADLP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521289 823353531 /nfs/dbraw/zinc/35/35/31/823353531.db2.gz CLVDYUCEYIEBAI-DHIUTWEWSA-N 2 2 381.539 4.215 20 0 GIADLP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521289 823353536 /nfs/dbraw/zinc/35/35/36/823353536.db2.gz CLVDYUCEYIEBAI-DHIUTWEWSA-N 2 2 381.539 4.215 20 0 GIADLP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521289 823353541 /nfs/dbraw/zinc/35/35/41/823353541.db2.gz CLVDYUCEYIEBAI-DHIUTWEWSA-N 2 2 381.539 4.215 20 0 GIADLP Fc1ccc([C@@H](C[C@@H]2CCCO2)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000572532683 823355652 /nfs/dbraw/zinc/35/56/52/823355652.db2.gz ZXVZOEPKIAUCEZ-XZOQPEGZSA-N 2 2 379.479 4.471 20 0 GIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cncc(Br)c1 ZINC000572617811 823369966 /nfs/dbraw/zinc/36/99/66/823369966.db2.gz IRYNDTWAOZVRFT-HUUCEWRRSA-N 2 2 389.341 4.115 20 0 GIADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000023623351 818966568 /nfs/dbraw/zinc/96/65/68/818966568.db2.gz CBPLHLIVKIMUDB-UHFFFAOYSA-N 2 2 389.478 4.363 20 0 GIADLP Clc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000026309340 820080723 /nfs/dbraw/zinc/08/07/23/820080723.db2.gz YYMRMDZXADQQMB-UHFFFAOYSA-N 2 2 391.906 4.238 20 0 GIADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)CC3 ZINC000123081373 823458884 /nfs/dbraw/zinc/45/88/84/823458884.db2.gz RSEZJLYBPBSLTN-IBGZPJMESA-N 2 2 386.499 4.068 20 0 GIADLP c1cn(Cc2cccc(C[NH2+]Cc3ccccc3OCc3cccnc3)c2)c[nH+]1 ZINC000030901855 820705935 /nfs/dbraw/zinc/70/59/35/820705935.db2.gz JSINBNWZKTWYTO-UHFFFAOYSA-N 2 2 384.483 4.195 20 0 GIADLP C[N@H+](Cc1ccccc1NC(=O)NCCNc1cccc[nH+]1)C1CCCCC1 ZINC000043391261 821401205 /nfs/dbraw/zinc/40/12/05/821401205.db2.gz UYYTXBBKQTXVCR-UHFFFAOYSA-N 2 2 381.524 4.080 20 0 GIADLP C[N@@H+](Cc1ccccc1NC(=O)NCCNc1cccc[nH+]1)C1CCCCC1 ZINC000043391261 821401208 /nfs/dbraw/zinc/40/12/08/821401208.db2.gz UYYTXBBKQTXVCR-UHFFFAOYSA-N 2 2 381.524 4.080 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000180889515 821516995 /nfs/dbraw/zinc/51/69/95/821516995.db2.gz KCIRNUSOBLBBEM-DCEDVJGZSA-N 2 2 393.575 4.366 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000180889515 821517002 /nfs/dbraw/zinc/51/70/02/821517002.db2.gz KCIRNUSOBLBBEM-DCEDVJGZSA-N 2 2 393.575 4.366 20 0 GIADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1nccs1 ZINC000181200212 821692598 /nfs/dbraw/zinc/69/25/98/821692598.db2.gz FAFKJDIMOFSKIZ-LJQANCHMSA-N 2 2 392.572 4.316 20 0 GIADLP COc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1OC ZINC000181593718 821894627 /nfs/dbraw/zinc/89/46/27/821894627.db2.gz HCCNQYKUMHQXGB-QZTJIDSGSA-N 2 2 383.536 4.283 20 0 GIADLP C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178198828 822349933 /nfs/dbraw/zinc/34/99/33/822349933.db2.gz FDLQGOLFKMWHAY-IRXDYDNUSA-N 2 2 376.460 4.241 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000178257090 822359897 /nfs/dbraw/zinc/35/98/97/822359897.db2.gz HIXGDMVMMPLSPT-LBPRGKRZSA-N 2 2 390.421 4.414 20 0 GIADLP C[N@H+](Cc1ccccc1NC(=O)NCCCNc1cccc[nH+]1)C1CCCCC1 ZINC000046945128 822533347 /nfs/dbraw/zinc/53/33/47/822533347.db2.gz FCONJHZMTBZHOE-UHFFFAOYSA-N 2 2 395.551 4.470 20 0 GIADLP C[N@@H+](Cc1ccccc1NC(=O)NCCCNc1cccc[nH+]1)C1CCCCC1 ZINC000046945128 822533348 /nfs/dbraw/zinc/53/33/48/822533348.db2.gz FCONJHZMTBZHOE-UHFFFAOYSA-N 2 2 395.551 4.470 20 0 GIADLP FC(F)(F)CCN1CCC([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000180157094 822629026 /nfs/dbraw/zinc/62/90/26/822629026.db2.gz XIUHNYPXSASSLU-UHFFFAOYSA-N 2 2 375.523 4.182 20 0 GIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180207397 822639519 /nfs/dbraw/zinc/63/95/19/822639519.db2.gz MCRNFQNOQMFDBB-HNNXBMFYSA-N 2 2 376.342 4.161 20 0 GIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180207397 822639521 /nfs/dbraw/zinc/63/95/21/822639521.db2.gz MCRNFQNOQMFDBB-HNNXBMFYSA-N 2 2 376.342 4.161 20 0 GIADLP OC1CC[NH+](CCC[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180211765 822640469 /nfs/dbraw/zinc/64/04/69/822640469.db2.gz IUUKVLOJYHYSSS-NRFANRHFSA-N 2 2 376.903 4.005 20 0 GIADLP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c2ccc(F)cc2C1 ZINC000184511204 822648014 /nfs/dbraw/zinc/64/80/14/822648014.db2.gz SZALXXBPCHQRAG-QMHKHESXSA-N 2 2 392.478 4.156 20 0 GIADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455480557 822662866 /nfs/dbraw/zinc/66/28/66/822662866.db2.gz OFJUUCKWWGZDJX-UHFFFAOYSA-N 2 2 384.524 4.049 20 0 GIADLP Fc1ccc(C([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2ccc(F)cc2)cc1 ZINC000180576387 822705386 /nfs/dbraw/zinc/70/53/86/822705386.db2.gz LVNFHBMWPIZMFN-QGZVFWFLSA-N 2 2 386.486 4.145 20 0 GIADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455867952 822739718 /nfs/dbraw/zinc/73/97/18/822739718.db2.gz VSBADEKUKJHQSN-HRAATJIYSA-N 2 2 398.576 4.208 20 0 GIADLP CCOc1ccc(Oc2cc(C[NH2+]Cc3c[nH+]ccc3N(C)C)ccn2)cc1 ZINC000185142068 822742225 /nfs/dbraw/zinc/74/22/25/822742225.db2.gz PGONQKBFBVWGPZ-UHFFFAOYSA-N 2 2 378.476 4.023 20 0 GIADLP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000455915539 822748498 /nfs/dbraw/zinc/74/84/98/822748498.db2.gz KERWJLPZVACDBM-KSFYIVLOSA-N 2 2 389.503 4.304 20 0 GIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000174296208 822765907 /nfs/dbraw/zinc/76/59/07/822765907.db2.gz CEAYRMMTFQCJRS-GOSISDBHSA-N 2 2 381.520 4.268 20 0 GIADLP C[C@@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709125 822812619 /nfs/dbraw/zinc/81/26/19/822812619.db2.gz MVRFSJAEXJSTSS-ZIAGYGMSSA-N 2 2 381.351 4.384 20 0 GIADLP C[C@@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709125 822812621 /nfs/dbraw/zinc/81/26/21/822812621.db2.gz MVRFSJAEXJSTSS-ZIAGYGMSSA-N 2 2 381.351 4.384 20 0 GIADLP C[C@@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185715418 822813603 /nfs/dbraw/zinc/81/36/03/822813603.db2.gz BUUPJQHFPXXEPE-QZTJIDSGSA-N 2 2 396.554 4.243 20 0 GIADLP C[C@@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185715418 822813607 /nfs/dbraw/zinc/81/36/07/822813607.db2.gz BUUPJQHFPXXEPE-QZTJIDSGSA-N 2 2 396.554 4.243 20 0 GIADLP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651397 822817901 /nfs/dbraw/zinc/81/79/01/822817901.db2.gz JSWJIBAUELLSCM-ROUUACIJSA-N 2 2 384.524 4.170 20 0 GIADLP CCOc1ccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)co2)cc1 ZINC000185768113 822819352 /nfs/dbraw/zinc/81/93/52/822819352.db2.gz SAOZRQZTVLBGEO-IEBWSBKVSA-N 2 2 383.536 4.483 20 0 GIADLP CCOc1ccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)co2)cc1 ZINC000185768113 822819353 /nfs/dbraw/zinc/81/93/53/822819353.db2.gz SAOZRQZTVLBGEO-IEBWSBKVSA-N 2 2 383.536 4.483 20 0 GIADLP C[N@H+](CCCOc1cccc(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174659326 822819775 /nfs/dbraw/zinc/81/97/75/822819775.db2.gz SASCHCLDMXGSMG-UHFFFAOYSA-N 2 2 387.955 4.143 20 0 GIADLP C[N@@H+](CCCOc1cccc(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174659326 822819779 /nfs/dbraw/zinc/81/97/79/822819779.db2.gz SASCHCLDMXGSMG-UHFFFAOYSA-N 2 2 387.955 4.143 20 0 GIADLP Cc1ccccc1-n1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)nn1 ZINC000570195826 823014228 /nfs/dbraw/zinc/01/42/28/823014228.db2.gz XDPWQWKYAGZCSU-UHFFFAOYSA-N 2 2 389.547 4.242 20 0 GIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000177913319 823545628 /nfs/dbraw/zinc/54/56/28/823545628.db2.gz ZESODINNIZNGTA-CVDCTZTESA-N 2 2 375.516 4.114 20 0 GIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000177913319 823545631 /nfs/dbraw/zinc/54/56/31/823545631.db2.gz ZESODINNIZNGTA-CVDCTZTESA-N 2 2 375.516 4.114 20 0 GIADLP COc1ccc(Br)cc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000061556849 823603617 /nfs/dbraw/zinc/60/36/17/823603617.db2.gz DUTBBOPSPJSCRB-UHFFFAOYSA-N 2 2 377.326 4.069 20 0 GIADLP COc1ccc(Br)cc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000061556849 823603618 /nfs/dbraw/zinc/60/36/18/823603618.db2.gz DUTBBOPSPJSCRB-UHFFFAOYSA-N 2 2 377.326 4.069 20 0 GIADLP CN(C(=O)c1csc2ccccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124558958 823606397 /nfs/dbraw/zinc/60/63/97/823606397.db2.gz SLTUQCHQALVYAH-SFTDATJTSA-N 2 2 399.604 4.311 20 0 GIADLP CN(C(=O)c1csc2ccccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124558958 823606399 /nfs/dbraw/zinc/60/63/99/823606399.db2.gz SLTUQCHQALVYAH-SFTDATJTSA-N 2 2 399.604 4.311 20 0 GIADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000062427024 823635119 /nfs/dbraw/zinc/63/51/19/823635119.db2.gz YGGYULWXLWOKSG-HNNXBMFYSA-N 2 2 381.351 4.307 20 0 GIADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000062427024 823635121 /nfs/dbraw/zinc/63/51/21/823635121.db2.gz YGGYULWXLWOKSG-HNNXBMFYSA-N 2 2 381.351 4.307 20 0 GIADLP CC[N@@H+](Cc1ccc(Br)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000191387139 823679014 /nfs/dbraw/zinc/67/90/14/823679014.db2.gz PWKVCWLOEASIRB-UHFFFAOYSA-N 2 2 378.314 4.176 20 0 GIADLP CC[N@H+](Cc1ccc(Br)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000191387139 823679018 /nfs/dbraw/zinc/67/90/18/823679018.db2.gz PWKVCWLOEASIRB-UHFFFAOYSA-N 2 2 378.314 4.176 20 0 GIADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)CCS2 ZINC000191536466 823697161 /nfs/dbraw/zinc/69/71/61/823697161.db2.gz XUPSHUXERPFSJT-KKSFZXQISA-N 2 2 383.561 4.442 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1OC(F)(F)F ZINC000163694326 823738258 /nfs/dbraw/zinc/73/82/58/823738258.db2.gz LYPZIYZRSLMLPI-MRXNPFEDSA-N 2 2 394.437 4.268 20 0 GIADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000164451055 823803688 /nfs/dbraw/zinc/80/36/88/823803688.db2.gz XBYIUDMGOKVSBW-QGZVFWFLSA-N 2 2 379.976 4.092 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)cn1 ZINC000126320974 823839255 /nfs/dbraw/zinc/83/92/55/823839255.db2.gz ODBPGXJZLOTKRY-GOSISDBHSA-N 2 2 383.293 4.115 20 0 GIADLP NC(=O)C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1 ZINC000575045219 823898966 /nfs/dbraw/zinc/89/89/66/823898966.db2.gz XEKQNLOZAFMIIR-NHCUHLMSSA-N 2 2 397.950 4.043 20 0 GIADLP NC(=O)C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1 ZINC000575045219 823898975 /nfs/dbraw/zinc/89/89/75/823898975.db2.gz XEKQNLOZAFMIIR-NHCUHLMSSA-N 2 2 397.950 4.043 20 0 GIADLP Brc1cccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)c1 ZINC000414151823 823919140 /nfs/dbraw/zinc/91/91/40/823919140.db2.gz ZFRCDJYRAPBAHO-UYAOXDASSA-N 2 2 382.305 4.340 20 0 GIADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000414450624 823987582 /nfs/dbraw/zinc/98/75/82/823987582.db2.gz YFPVZZUPPYBJBD-UHFFFAOYSA-N 2 2 380.467 4.067 20 0 GIADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000414824209 824040058 /nfs/dbraw/zinc/04/00/58/824040058.db2.gz ALPMGRYJQZHMMA-OAQYLSRUSA-N 2 2 378.520 4.103 20 0 GIADLP C[C@H]([NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414852619 824042162 /nfs/dbraw/zinc/04/21/62/824042162.db2.gz KDNYFAACROHDPV-GXTWGEPZSA-N 2 2 380.355 4.050 20 0 GIADLP [NH3+][C@@H](C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C1CC1 ZINC000414893629 824046763 /nfs/dbraw/zinc/04/67/63/824046763.db2.gz RXKHTOVRBYCQOT-SFHVURJKSA-N 2 2 378.303 4.073 20 0 GIADLP Cc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)[nH+]c2ccccc12 ZINC001164695695 719891545 /nfs/dbraw/zinc/89/15/45/719891545.db2.gz RFFAAZIUQDHFTL-UHFFFAOYSA-N 2 2 393.556 4.476 20 0 GIADLP Cc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH+]c2ccccc12 ZINC001164695695 719891546 /nfs/dbraw/zinc/89/15/46/719891546.db2.gz RFFAAZIUQDHFTL-UHFFFAOYSA-N 2 2 393.556 4.476 20 0 GIADLP Cc1cccc2cc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c12 ZINC001164707361 719900408 /nfs/dbraw/zinc/90/04/08/719900408.db2.gz QKUHKZAPSCLXMD-UHFFFAOYSA-N 2 2 393.556 4.476 20 0 GIADLP Cc1cccc2cc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12 ZINC001164707361 719900427 /nfs/dbraw/zinc/90/04/27/719900427.db2.gz QKUHKZAPSCLXMD-UHFFFAOYSA-N 2 2 393.556 4.476 20 0 GIADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3cccc(C)c3[nH+]1)C2 ZINC001164808569 720076675 /nfs/dbraw/zinc/07/66/75/720076675.db2.gz IHJWFLPOJBCULW-GBXCKJPGSA-N 2 2 379.548 4.036 20 0 GIADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3cccc(C)c3[nH+]1)C2 ZINC001164808569 720076679 /nfs/dbraw/zinc/07/66/79/720076679.db2.gz IHJWFLPOJBCULW-GBXCKJPGSA-N 2 2 379.548 4.036 20 0 GIADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C3CCCCC3)[nH+]c(C)n1)C2 ZINC001164818100 720156303 /nfs/dbraw/zinc/15/63/03/720156303.db2.gz RTYLRMUSIIIWRT-XUZZJYLKSA-N 2 2 398.595 4.017 20 0 GIADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C3CCCCC3)[nH+]c(C)n1)C2 ZINC001164818100 720156310 /nfs/dbraw/zinc/15/63/10/720156310.db2.gz RTYLRMUSIIIWRT-XUZZJYLKSA-N 2 2 398.595 4.017 20 0 GIADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc3ccccc3c[nH+]1)CC2 ZINC001164841761 720672492 /nfs/dbraw/zinc/67/24/92/720672492.db2.gz PWGUOAOLNCTLRL-HSZRJFAPSA-N 2 2 387.527 4.495 20 0 GIADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc3ccccc3c[nH+]1)CC2 ZINC001164841761 720672496 /nfs/dbraw/zinc/67/24/96/720672496.db2.gz PWGUOAOLNCTLRL-HSZRJFAPSA-N 2 2 387.527 4.495 20 0 GIADLP Cc1cc(Cl)c(C)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165023504 721815368 /nfs/dbraw/zinc/81/53/68/721815368.db2.gz HGPGNVSMCPGQFI-FBBABVLZSA-N 2 2 384.955 4.484 20 0 GIADLP Cc1cc(Cl)c(C)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165023504 721815370 /nfs/dbraw/zinc/81/53/70/721815370.db2.gz HGPGNVSMCPGQFI-FBBABVLZSA-N 2 2 384.955 4.484 20 0 GIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C(C)C)[nH+]c(C)n2)CC1 ZINC001165019278 721838339 /nfs/dbraw/zinc/83/83/39/721838339.db2.gz CBOQCBAKKBEFQF-UHFFFAOYSA-N 2 2 398.551 4.026 20 0 GIADLP Brc1cccc(-c2cnc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000571051333 823125306 /nfs/dbraw/zinc/12/53/06/823125306.db2.gz ZOBGPJMGHLPHRX-WBVHZDCISA-N 2 2 390.325 4.068 20 0 GIADLP Brc1cccc(-c2cnc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000571051333 823125308 /nfs/dbraw/zinc/12/53/08/823125308.db2.gz ZOBGPJMGHLPHRX-WBVHZDCISA-N 2 2 390.325 4.068 20 0 GIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000571249437 823155681 /nfs/dbraw/zinc/15/56/81/823155681.db2.gz LASBKRDFELVCOB-OAHLLOKOSA-N 2 2 382.392 4.414 20 0 GIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(O)c2Br)[C@H]1c1cccs1 ZINC000459441449 823192707 /nfs/dbraw/zinc/19/27/07/823192707.db2.gz VZSLTQWYRVNUCI-KDOFPFPSSA-N 2 2 395.366 4.389 20 0 GIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(O)c2Br)[C@H]1c1cccs1 ZINC000459441449 823192708 /nfs/dbraw/zinc/19/27/08/823192708.db2.gz VZSLTQWYRVNUCI-KDOFPFPSSA-N 2 2 395.366 4.389 20 0 GIADLP C[C@H]1CC[N@H+](Cn2c3ccccc3nc2SC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000121507448 823196807 /nfs/dbraw/zinc/19/68/07/823196807.db2.gz BOJDLSDHGUBLDI-BBRMVZONSA-N 2 2 377.464 4.088 20 0 GIADLP Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000459729073 823257458 /nfs/dbraw/zinc/25/74/58/823257458.db2.gz GEZAUWAPAFMUJI-WSOYEBOPSA-N 2 2 393.550 4.010 20 0 GIADLP Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000459729073 823257463 /nfs/dbraw/zinc/25/74/63/823257463.db2.gz GEZAUWAPAFMUJI-WSOYEBOPSA-N 2 2 393.550 4.010 20 0 GIADLP COc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(Cl)c1OC ZINC000571961630 823260874 /nfs/dbraw/zinc/26/08/74/823260874.db2.gz XCIALDCPOLOTFZ-UHFFFAOYSA-N 2 2 377.916 4.246 20 0 GIADLP COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)CCCO2 ZINC000122326186 823338512 /nfs/dbraw/zinc/33/85/12/823338512.db2.gz FXLQSOXULDFDCP-HSZRJFAPSA-N 2 2 395.547 4.234 20 0 GIADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000017310205 818507937 /nfs/dbraw/zinc/50/79/37/818507937.db2.gz XGHRMIDIMRPEKZ-UHFFFAOYSA-N 2 2 389.478 4.363 20 0 GIADLP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000176992646 823344993 /nfs/dbraw/zinc/34/49/93/823344993.db2.gz WITXDOFAQVVJEQ-OAQYLSRUSA-N 2 2 392.971 4.394 20 0 GIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122769431 823409404 /nfs/dbraw/zinc/40/94/04/823409404.db2.gz ALDYWKKIWTYFER-NTKDMRAZSA-N 2 2 391.515 4.287 20 0 GIADLP O=C(C[NH+]1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1)Nc1ccccc1 ZINC000029081483 820390545 /nfs/dbraw/zinc/39/05/45/820390545.db2.gz WHEWOAXSZMWHGQ-UHFFFAOYSA-N 2 2 394.906 4.403 20 0 GIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180929271 821543431 /nfs/dbraw/zinc/54/34/31/821543431.db2.gz DKBLLKQUNLIEIF-MRXNPFEDSA-N 2 2 390.959 4.014 20 0 GIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180929271 821543439 /nfs/dbraw/zinc/54/34/39/821543439.db2.gz DKBLLKQUNLIEIF-MRXNPFEDSA-N 2 2 390.959 4.014 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000181586869 821891353 /nfs/dbraw/zinc/89/13/53/821891353.db2.gz IPKPWQWHCKDMHP-ROUUACIJSA-N 2 2 381.520 4.119 20 0 GIADLP Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)C2)cc1 ZINC000181828270 822009074 /nfs/dbraw/zinc/00/90/74/822009074.db2.gz IVSDPCRQBPZOBK-XMMPIXPASA-N 2 2 388.559 4.090 20 0 GIADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000182100076 822093447 /nfs/dbraw/zinc/09/34/47/822093447.db2.gz YBDWKBDKRSDAGZ-QGZVFWFLSA-N 2 2 380.536 4.031 20 0 GIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000182922196 822393209 /nfs/dbraw/zinc/39/32/09/822393209.db2.gz CNKDXLCQJJBCTO-UHFFFAOYSA-N 2 2 392.465 4.294 20 0 GIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000182922196 822393211 /nfs/dbraw/zinc/39/32/11/822393211.db2.gz CNKDXLCQJJBCTO-UHFFFAOYSA-N 2 2 392.465 4.294 20 0 GIADLP CN(C(=O)c1cccc(C(F)F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178877357 822418395 /nfs/dbraw/zinc/41/83/95/822418395.db2.gz DLCSCXKDVJBOEB-UXHICEINSA-N 2 2 393.522 4.033 20 0 GIADLP CN(C(=O)c1cccc(C(F)F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178877357 822418396 /nfs/dbraw/zinc/41/83/96/822418396.db2.gz DLCSCXKDVJBOEB-UXHICEINSA-N 2 2 393.522 4.033 20 0 GIADLP C[C@@H](C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000179000579 822428335 /nfs/dbraw/zinc/42/83/35/822428335.db2.gz VKUQJACLCXPNSM-NSHDSACASA-N 2 2 376.220 4.090 20 0 GIADLP O=C(C[NH+]1CCCCCCC1)Nc1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000179430106 822481436 /nfs/dbraw/zinc/48/14/36/822481436.db2.gz ALRJOTWBIZGBJE-UHFFFAOYSA-N 2 2 391.519 4.151 20 0 GIADLP CC(C)(C)OC(=O)NC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000179675068 822524572 /nfs/dbraw/zinc/52/45/72/822524572.db2.gz DRAKPHOOTIPBRS-NRFANRHFSA-N 2 2 394.519 4.282 20 0 GIADLP CC[NH+]1CCN(c2ccccc2N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000179775637 822550388 /nfs/dbraw/zinc/55/03/88/822550388.db2.gz VFXIJOLDYQUQFS-LJQANCHMSA-N 2 2 375.520 4.187 20 0 GIADLP CCOCc1cc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)ccc1OC ZINC000179834653 822562574 /nfs/dbraw/zinc/56/25/74/822562574.db2.gz YAZJUUTYZABHQR-UHFFFAOYSA-N 2 2 397.563 4.365 20 0 GIADLP CCOCc1cc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)ccc1OC ZINC000179834653 822562577 /nfs/dbraw/zinc/56/25/77/822562577.db2.gz YAZJUUTYZABHQR-UHFFFAOYSA-N 2 2 397.563 4.365 20 0 GIADLP O=C(NCCCCC[NH+]1CCCC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000455287080 822627749 /nfs/dbraw/zinc/62/77/49/822627749.db2.gz JHCJYVNYHGEZGR-UHFFFAOYSA-N 2 2 395.551 4.274 20 0 GIADLP C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000455288428 822628372 /nfs/dbraw/zinc/62/83/72/822628372.db2.gz LCBKVMYMWHGKEJ-UHFFFAOYSA-N 2 2 383.540 4.128 20 0 GIADLP COc1ccc([C@@H](CNC(=O)Nc2c(C)cc(C)[nH+]c2C)[NH+]2CCCCC2)cc1 ZINC000455479038 822662477 /nfs/dbraw/zinc/66/24/77/822662477.db2.gz NLWHCPRKBDBOJB-OAQYLSRUSA-N 2 2 396.535 4.364 20 0 GIADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000180421201 822678626 /nfs/dbraw/zinc/67/86/26/822678626.db2.gz SDUNZSNVJPCEBC-YDHSSHFGSA-N 2 2 394.563 4.066 20 0 GIADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000180421201 822678628 /nfs/dbraw/zinc/67/86/28/822678628.db2.gz SDUNZSNVJPCEBC-YDHSSHFGSA-N 2 2 394.563 4.066 20 0 GIADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC(CCCn4cc[nH+]c4)CC3)ccc21 ZINC000455869476 822740038 /nfs/dbraw/zinc/74/00/38/822740038.db2.gz WMZQAVCMNWWQCB-JOCHJYFZSA-N 2 2 395.551 4.156 20 0 GIADLP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000455915532 822748551 /nfs/dbraw/zinc/74/85/51/822748551.db2.gz KERWJLPZVACDBM-AOMKIAJQSA-N 2 2 389.503 4.304 20 0 GIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000174294566 822765176 /nfs/dbraw/zinc/76/51/76/822765176.db2.gz QROYNDRODGVMTC-GOSISDBHSA-N 2 2 381.520 4.268 20 0 GIADLP CC[N@@H+](Cc1nc2ccccc2nc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394343 822783405 /nfs/dbraw/zinc/78/34/05/822783405.db2.gz JOFZKGTYXGVFBW-UHFFFAOYSA-N 2 2 375.520 4.072 20 0 GIADLP CC[N@H+](Cc1nc2ccccc2nc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394343 822783408 /nfs/dbraw/zinc/78/34/08/822783408.db2.gz JOFZKGTYXGVFBW-UHFFFAOYSA-N 2 2 375.520 4.072 20 0 GIADLP C[NH+]1CCC(CNC(=O)Nc2ccccc2C(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000174422285 822787850 /nfs/dbraw/zinc/78/78/50/822787850.db2.gz MXFRIVDUOJDCRW-UHFFFAOYSA-N 2 2 386.584 4.056 20 0 GIADLP Cc1oc2ccccc2c1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000186135617 822854647 /nfs/dbraw/zinc/85/46/47/822854647.db2.gz ZXHNODXTGQMHES-NHCUHLMSSA-N 2 2 397.563 4.150 20 0 GIADLP Cc1oc2ccccc2c1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000186135617 822854650 /nfs/dbraw/zinc/85/46/50/822854650.db2.gz ZXHNODXTGQMHES-NHCUHLMSSA-N 2 2 397.563 4.150 20 0 GIADLP c1c(C[NH+]2CCC([NH2+]CC3CC3)CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000569575513 822941643 /nfs/dbraw/zinc/94/16/43/822941643.db2.gz NHYJCFQUFHGVCO-UHFFFAOYSA-N 2 2 379.552 4.024 20 0 GIADLP Cc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(Cl)c1 ZINC000570046371 823000494 /nfs/dbraw/zinc/00/04/94/823000494.db2.gz XSKRSZWAWYSKDP-LJQANCHMSA-N 2 2 397.950 4.374 20 0 GIADLP Cc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(Cl)c1 ZINC000570046371 823000497 /nfs/dbraw/zinc/00/04/97/823000497.db2.gz XSKRSZWAWYSKDP-LJQANCHMSA-N 2 2 397.950 4.374 20 0 GIADLP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000187162211 823019282 /nfs/dbraw/zinc/01/92/82/823019282.db2.gz YCSBNTBAAFEYAU-UHFFFAOYSA-N 2 2 388.446 4.372 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC000190326119 823563027 /nfs/dbraw/zinc/56/30/27/823563027.db2.gz HEYCUUPNMVSRDO-OAHLLOKOSA-N 2 2 393.441 4.495 20 0 GIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCc2cncs2)CC1 ZINC000411400601 823570439 /nfs/dbraw/zinc/57/04/39/823570439.db2.gz VENWWTALFUTVOY-UHFFFAOYSA-N 2 2 383.483 4.301 20 0 GIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCc2cncs2)CC1 ZINC000411400601 823570440 /nfs/dbraw/zinc/57/04/40/823570440.db2.gz VENWWTALFUTVOY-UHFFFAOYSA-N 2 2 383.483 4.301 20 0 GIADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000061003038 823572080 /nfs/dbraw/zinc/57/20/80/823572080.db2.gz DCCBTYOGNCOMKU-UHFFFAOYSA-N 2 2 397.832 4.229 20 0 GIADLP CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000061014676 823572846 /nfs/dbraw/zinc/57/28/46/823572846.db2.gz ZRIBLARFCRECTM-UHFFFAOYSA-N 2 2 385.515 4.147 20 0 GIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3c(Cl)cccc3Cl)cc2)CC1 ZINC000061070151 823576759 /nfs/dbraw/zinc/57/67/59/823576759.db2.gz CFGLSVJTESWKFS-UHFFFAOYSA-N 2 2 392.374 4.421 20 0 GIADLP C[C@H](c1nnc(SCC[C@@H]2CCC[N@@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000124294267 823584774 /nfs/dbraw/zinc/58/47/74/823584774.db2.gz ICQKYULUWMVAOJ-ZBFHGGJFSA-N 2 2 393.988 4.120 20 0 GIADLP C[C@H](c1nnc(SCC[C@@H]2CCC[N@H+]2C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000124294267 823584779 /nfs/dbraw/zinc/58/47/79/823584779.db2.gz ICQKYULUWMVAOJ-ZBFHGGJFSA-N 2 2 393.988 4.120 20 0 GIADLP Cc1ccc2oc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000124676706 823616304 /nfs/dbraw/zinc/61/63/04/823616304.db2.gz WBNGSCSDWOPQKB-RTWAWAEBSA-N 2 2 397.563 4.150 20 0 GIADLP Cc1ccc2oc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000124676706 823616306 /nfs/dbraw/zinc/61/63/06/823616306.db2.gz WBNGSCSDWOPQKB-RTWAWAEBSA-N 2 2 397.563 4.150 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000191470999 823688618 /nfs/dbraw/zinc/68/86/18/823688618.db2.gz BMAYXYBJBXADCV-UHFFFAOYSA-N 2 2 384.549 4.490 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000191470999 823688619 /nfs/dbraw/zinc/68/86/19/823688619.db2.gz BMAYXYBJBXADCV-UHFFFAOYSA-N 2 2 384.549 4.490 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000191508051 823693239 /nfs/dbraw/zinc/69/32/39/823693239.db2.gz KVJZPQKWEHMSHB-UHFFFAOYSA-N 2 2 390.531 4.463 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000191508051 823693240 /nfs/dbraw/zinc/69/32/40/823693240.db2.gz KVJZPQKWEHMSHB-UHFFFAOYSA-N 2 2 390.531 4.463 20 0 GIADLP Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(-n2cc(Cl)cn2)n1 ZINC000191529872 823695956 /nfs/dbraw/zinc/69/59/56/823695956.db2.gz GDZIFOFABMMGEW-MRXNPFEDSA-N 2 2 392.894 4.266 20 0 GIADLP Brc1cc2cccnc2c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000163553372 823720978 /nfs/dbraw/zinc/72/09/78/823720978.db2.gz GYDAFDRWMVIGJK-LJQANCHMSA-N 2 2 388.353 4.448 20 0 GIADLP Brc1cc2cccnc2c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000163553372 823720982 /nfs/dbraw/zinc/72/09/82/823720982.db2.gz GYDAFDRWMVIGJK-LJQANCHMSA-N 2 2 388.353 4.448 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(OC(F)(F)F)c1 ZINC000163757377 823745913 /nfs/dbraw/zinc/74/59/13/823745913.db2.gz RZRKAIJNQUMGCI-MRXNPFEDSA-N 2 2 394.437 4.268 20 0 GIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163911702 823760018 /nfs/dbraw/zinc/76/00/18/823760018.db2.gz NFOJQYLXAIKHPH-HNNXBMFYSA-N 2 2 376.342 4.161 20 0 GIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163911702 823760025 /nfs/dbraw/zinc/76/00/25/823760025.db2.gz NFOJQYLXAIKHPH-HNNXBMFYSA-N 2 2 376.342 4.161 20 0 GIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163911702 823760029 /nfs/dbraw/zinc/76/00/29/823760029.db2.gz NFOJQYLXAIKHPH-HNNXBMFYSA-N 2 2 376.342 4.161 20 0 GIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163911702 823760037 /nfs/dbraw/zinc/76/00/37/823760037.db2.gz NFOJQYLXAIKHPH-HNNXBMFYSA-N 2 2 376.342 4.161 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000164387871 823800308 /nfs/dbraw/zinc/80/03/08/823800308.db2.gz AZMJEEFCDDBTSD-UZKOGDIHSA-N 2 2 398.982 4.204 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000164387871 823800310 /nfs/dbraw/zinc/80/03/10/823800310.db2.gz AZMJEEFCDDBTSD-UZKOGDIHSA-N 2 2 398.982 4.204 20 0 GIADLP COc1cc(OC)c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(OC)c1 ZINC000164418054 823802201 /nfs/dbraw/zinc/80/22/01/823802201.db2.gz GPRVFDKZAYLFRF-OAHLLOKOSA-N 2 2 381.476 4.057 20 0 GIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000126187574 823808179 /nfs/dbraw/zinc/80/81/79/823808179.db2.gz RKOUNSQDEOWGBX-YYWHXJBOSA-N 2 2 383.536 4.050 20 0 GIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000126187574 823808187 /nfs/dbraw/zinc/80/81/87/823808187.db2.gz RKOUNSQDEOWGBX-YYWHXJBOSA-N 2 2 383.536 4.050 20 0 GIADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165561580 823853900 /nfs/dbraw/zinc/85/39/00/823853900.db2.gz WAUMJAWNJRGPNS-FHAGJXEFSA-N 3 2 388.559 4.417 20 0 GIADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165561580 823853906 /nfs/dbraw/zinc/85/39/06/823853906.db2.gz WAUMJAWNJRGPNS-FHAGJXEFSA-N 3 2 388.559 4.417 20 0 GIADLP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1Cl ZINC000126466241 823875133 /nfs/dbraw/zinc/87/51/33/823875133.db2.gz MDDAEHDJFXMPBC-CYBMUJFWSA-N 2 2 386.883 4.097 20 0 GIADLP CCS[C@@H](C)c1noc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000126551229 823896322 /nfs/dbraw/zinc/89/63/22/823896322.db2.gz QKAYNZLFEZYSMR-KRWDZBQOSA-N 2 2 388.581 4.228 20 0 GIADLP CCS[C@@H](C)c1noc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000126551229 823896333 /nfs/dbraw/zinc/89/63/33/823896333.db2.gz QKAYNZLFEZYSMR-KRWDZBQOSA-N 2 2 388.581 4.228 20 0 GIADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000126672189 823924007 /nfs/dbraw/zinc/92/40/07/823924007.db2.gz GTHCFVJFHYTGMZ-CABCVRRESA-N 2 2 377.454 4.268 20 0 GIADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000126689749 823927640 /nfs/dbraw/zinc/92/76/40/823927640.db2.gz BVJLCFCTWOVFJA-CABCVRRESA-N 2 2 377.454 4.268 20 0 GIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414245977 823939962 /nfs/dbraw/zinc/93/99/62/823939962.db2.gz UEBOIWVXGNODDW-UWJYYQICSA-N 2 2 385.502 4.282 20 0 GIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414245977 823939968 /nfs/dbraw/zinc/93/99/68/823939968.db2.gz UEBOIWVXGNODDW-UWJYYQICSA-N 2 2 385.502 4.282 20 0 GIADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311331 823952775 /nfs/dbraw/zinc/95/27/75/823952775.db2.gz BFMXEUMIIYQNQR-NHCUHLMSSA-N 2 2 393.579 4.242 20 0 GIADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311331 823952781 /nfs/dbraw/zinc/95/27/81/823952781.db2.gz BFMXEUMIIYQNQR-NHCUHLMSSA-N 2 2 393.579 4.242 20 0 GIADLP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355557 823963716 /nfs/dbraw/zinc/96/37/16/823963716.db2.gz AHVVQBZATAWQON-PXNSSMCTSA-N 2 2 392.469 4.231 20 0 GIADLP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355557 823963726 /nfs/dbraw/zinc/96/37/26/823963726.db2.gz AHVVQBZATAWQON-PXNSSMCTSA-N 2 2 392.469 4.231 20 0 GIADLP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccc1OCc1ccc(F)cc1 ZINC000126854858 823967293 /nfs/dbraw/zinc/96/72/93/823967293.db2.gz WOSDTQFPBWMQAP-QGZVFWFLSA-N 2 2 383.467 4.036 20 0 GIADLP Cc1cc2ccccc2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)[nH+]1 ZINC001164903021 721545005 /nfs/dbraw/zinc/54/50/05/721545005.db2.gz BVBXAVPINILQOZ-TZIWHRDSSA-N 2 2 377.463 4.024 20 0 GIADLP Cc1cc2ccccc2c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)[nH+]1 ZINC001164903021 721545007 /nfs/dbraw/zinc/54/50/07/721545007.db2.gz BVBXAVPINILQOZ-TZIWHRDSSA-N 2 2 377.463 4.024 20 0 GIADLP Cc1cc(Cl)c(C)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165023501 721815484 /nfs/dbraw/zinc/81/54/84/721815484.db2.gz HGPGNVSMCPGQFI-CUWPLCDZSA-N 2 2 384.955 4.484 20 0 GIADLP Cc1cc(Cl)c(C)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165023501 721815486 /nfs/dbraw/zinc/81/54/86/721815486.db2.gz HGPGNVSMCPGQFI-CUWPLCDZSA-N 2 2 384.955 4.484 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001165019925 721825925 /nfs/dbraw/zinc/82/59/25/721825925.db2.gz CNDXLMZVNVOPLL-TYPHKJRUSA-N 2 2 393.579 4.214 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001165019925 721825926 /nfs/dbraw/zinc/82/59/26/721825926.db2.gz CNDXLMZVNVOPLL-TYPHKJRUSA-N 2 2 393.579 4.214 20 0 GIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000056155021 823091142 /nfs/dbraw/zinc/09/11/42/823091142.db2.gz OBJZTQRPXQCARK-DEOSSOPVSA-N 2 2 391.559 4.028 20 0 GIADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCc4[nH+]c[nH]c4C2)CCC3)cc1 ZINC000571211742 823149432 /nfs/dbraw/zinc/14/94/32/823149432.db2.gz CYPVHGLSGSPISJ-YOEHRIQHSA-N 2 2 380.517 4.066 20 0 GIADLP FC(F)(F)c1ccc(Br)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000571248746 823155399 /nfs/dbraw/zinc/15/53/99/823155399.db2.gz UBWPJYNVFHVAFD-LLVKDONJSA-N 2 2 377.248 4.042 20 0 GIADLP FC(F)(F)c1ccc(Br)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000571248746 823155400 /nfs/dbraw/zinc/15/54/00/823155400.db2.gz UBWPJYNVFHVAFD-LLVKDONJSA-N 2 2 377.248 4.042 20 0 GIADLP CN(c1ccccc1CNc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC[NH+](C)CC1 ZINC000121374681 823172928 /nfs/dbraw/zinc/17/29/28/823172928.db2.gz DPJNQENUTXCWMB-UHFFFAOYSA-N 2 2 393.510 4.154 20 0 GIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459383138 823178902 /nfs/dbraw/zinc/17/89/02/823178902.db2.gz FJWIRXFAHSMRIZ-UHFFFAOYSA-N 2 2 381.520 4.379 20 0 GIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1C(F)(F)F ZINC000188092469 823185070 /nfs/dbraw/zinc/18/50/70/823185070.db2.gz ZIOZLYYNTWJEMQ-LLVKDONJSA-N 2 2 376.220 4.405 20 0 GIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1C(F)(F)F ZINC000188092446 823185142 /nfs/dbraw/zinc/18/51/42/823185142.db2.gz ZIOZLYYNTWJEMQ-NSHDSACASA-N 2 2 376.220 4.405 20 0 GIADLP C[C@H]([NH2+]C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC1)c1ccccc1 ZINC000459446930 823193948 /nfs/dbraw/zinc/19/39/48/823193948.db2.gz PWRMGNDFFJHAID-FQEVSTJZSA-N 3 2 378.564 4.304 20 0 GIADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000459498023 823204721 /nfs/dbraw/zinc/20/47/21/823204721.db2.gz ANWZCSWLMUQSKX-UHFFFAOYSA-N 2 2 395.576 4.494 20 0 GIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056763989 823209045 /nfs/dbraw/zinc/20/90/45/823209045.db2.gz UREGVMRXURZRSP-OAQYLSRUSA-N 2 2 397.567 4.148 20 0 GIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CCc3cccc(Cl)c3)CC2)cc1 ZINC000459567698 823222067 /nfs/dbraw/zinc/22/20/67/823222067.db2.gz AARIVQCMYKIPPD-UHFFFAOYSA-N 2 2 385.939 4.095 20 0 GIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)cc1 ZINC000459579297 823224330 /nfs/dbraw/zinc/22/43/30/823224330.db2.gz OJYNGNCGIGVTRL-UHFFFAOYSA-N 2 2 377.532 4.277 20 0 GIADLP FC(F)(F)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000459651940 823239504 /nfs/dbraw/zinc/23/95/04/823239504.db2.gz AYDRWBKZEPHANQ-SFHVURJKSA-N 2 2 379.426 4.053 20 0 GIADLP FC(F)(F)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000459651940 823239505 /nfs/dbraw/zinc/23/95/05/823239505.db2.gz AYDRWBKZEPHANQ-SFHVURJKSA-N 2 2 379.426 4.053 20 0 GIADLP FC(F)COc1cnccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572120321 823285980 /nfs/dbraw/zinc/28/59/80/823285980.db2.gz QRRZEVOGRCPMEH-IBGZPJMESA-N 2 2 387.474 4.012 20 0 GIADLP FC(F)COc1cnccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572120321 823285984 /nfs/dbraw/zinc/28/59/84/823285984.db2.gz QRRZEVOGRCPMEH-IBGZPJMESA-N 2 2 387.474 4.012 20 0 GIADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)c3)s2)[C@H](C[NH3+])C1 ZINC000572158481 823291765 /nfs/dbraw/zinc/29/17/65/823291765.db2.gz TZNDGHPZHQZMHJ-JKSUJKDBSA-N 2 2 395.366 4.116 20 0 GIADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(Br)c3)s2)[C@H](C[NH3+])C1 ZINC000572158481 823291767 /nfs/dbraw/zinc/29/17/67/823291767.db2.gz TZNDGHPZHQZMHJ-JKSUJKDBSA-N 2 2 395.366 4.116 20 0 GIADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(C[NH+]4CCCC4)c3)cn2c1 ZINC000042721474 821326920 /nfs/dbraw/zinc/32/69/20/821326920.db2.gz RMNDWVXTQHMCFW-UHFFFAOYSA-N 2 2 394.544 4.110 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649496 821382704 /nfs/dbraw/zinc/38/27/04/821382704.db2.gz CVLBEBUSKUXMPG-LJQANCHMSA-N 2 2 388.515 4.349 20 0 GIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3nc4c(s3)CCCC4)cc2)CC1 ZINC000181204610 821695685 /nfs/dbraw/zinc/69/56/85/821695685.db2.gz GTUBIKZHTRZVQD-GOSISDBHSA-N 2 2 398.620 4.010 20 0 GIADLP COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431950 821823544 /nfs/dbraw/zinc/82/35/44/821823544.db2.gz FATOSBCDZMBIHO-HLIPFELVSA-N 2 2 387.593 4.344 20 0 GIADLP COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431950 821823552 /nfs/dbraw/zinc/82/35/52/821823552.db2.gz FATOSBCDZMBIHO-HLIPFELVSA-N 2 2 387.593 4.344 20 0 GIADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(Br)c1 ZINC000181568673 821883731 /nfs/dbraw/zinc/88/37/31/821883731.db2.gz QEVKMNRSRDQRMX-AWEZNQCLSA-N 2 2 386.293 4.494 20 0 GIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(Br)c1 ZINC000181591246 821893374 /nfs/dbraw/zinc/89/33/74/821893374.db2.gz WUOSMEBYRUSNMF-AWEZNQCLSA-N 2 2 386.293 4.494 20 0 GIADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Cl)sc1Cl ZINC000182268692 822179937 /nfs/dbraw/zinc/17/99/37/822179937.db2.gz OCKWMDJBJQYYQV-WFASDCNBSA-N 2 2 385.360 4.472 20 0 GIADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)sc1Cl ZINC000182268692 822179944 /nfs/dbraw/zinc/17/99/44/822179944.db2.gz OCKWMDJBJQYYQV-WFASDCNBSA-N 2 2 385.360 4.472 20 0 GIADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1OC ZINC000182437591 822242742 /nfs/dbraw/zinc/24/27/42/822242742.db2.gz UJMAYYCRVGGTRA-IBGZPJMESA-N 3 2 396.579 4.252 20 0 GIADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1OC ZINC000182437571 822242988 /nfs/dbraw/zinc/24/29/88/822242988.db2.gz UJMAYYCRVGGTRA-LJQANCHMSA-N 3 2 396.579 4.252 20 0 GIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000178198854 822349846 /nfs/dbraw/zinc/34/98/46/822349846.db2.gz FDLQGOLFKMWHAY-DLBZAZTESA-N 2 2 376.460 4.241 20 0 GIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000178257105 822359875 /nfs/dbraw/zinc/35/98/75/822359875.db2.gz HIXGDMVMMPLSPT-GFCCVEGCSA-N 2 2 390.421 4.414 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000178400121 822375352 /nfs/dbraw/zinc/37/53/52/822375352.db2.gz BJDDHAOXZHKTDP-GCJKJVERSA-N 2 2 392.572 4.248 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000178400121 822375356 /nfs/dbraw/zinc/37/53/56/822375356.db2.gz BJDDHAOXZHKTDP-GCJKJVERSA-N 2 2 392.572 4.248 20 0 GIADLP COc1ccc([C@@H](C)[NH2+]Cc2nccn2CC(C)C)cc1C[NH+]1CCCCC1 ZINC000183021106 822412596 /nfs/dbraw/zinc/41/25/96/822412596.db2.gz HWEAEGHFEVGPKB-LJQANCHMSA-N 2 2 384.568 4.384 20 0 GIADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000179348821 822469098 /nfs/dbraw/zinc/46/90/98/822469098.db2.gz WQJPEFANZBBJJS-IBGZPJMESA-N 2 2 394.563 4.210 20 0 GIADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000179348821 822469101 /nfs/dbraw/zinc/46/91/01/822469101.db2.gz WQJPEFANZBBJJS-IBGZPJMESA-N 2 2 394.563 4.210 20 0 GIADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000179348808 822469136 /nfs/dbraw/zinc/46/91/36/822469136.db2.gz WQJPEFANZBBJJS-LJQANCHMSA-N 2 2 394.563 4.210 20 0 GIADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000179348808 822469139 /nfs/dbraw/zinc/46/91/39/822469139.db2.gz WQJPEFANZBBJJS-LJQANCHMSA-N 2 2 394.563 4.210 20 0 GIADLP Cn1cc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c2cccc(F)c2)cn1 ZINC000180041471 822602806 /nfs/dbraw/zinc/60/28/06/822602806.db2.gz JMTMOTSJKNMTKD-QHCPKHFHSA-N 2 2 378.495 4.034 20 0 GIADLP COc1ccc([C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c2ccccc2)cc1 ZINC000180176654 822632792 /nfs/dbraw/zinc/63/27/92/822632792.db2.gz ACQDZIKORRJINB-DEOSSOPVSA-N 2 2 384.483 4.464 20 0 GIADLP Brc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c2ncccc12 ZINC000180182665 822634168 /nfs/dbraw/zinc/63/41/68/822634168.db2.gz PUVBSYDQEWXXIU-QGZVFWFLSA-N 2 2 388.353 4.448 20 0 GIADLP Brc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c2ncccc12 ZINC000180182665 822634171 /nfs/dbraw/zinc/63/41/71/822634171.db2.gz PUVBSYDQEWXXIU-QGZVFWFLSA-N 2 2 388.353 4.448 20 0 GIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000180405306 822676458 /nfs/dbraw/zinc/67/64/58/822676458.db2.gz UMYULUOIYKTXJD-LBPRGKRZSA-N 2 2 378.410 4.413 20 0 GIADLP Cc1cc([C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccccc2Cl)ccc1F ZINC000180464342 822686871 /nfs/dbraw/zinc/68/68/71/822686871.db2.gz CAHRULRILCBTKC-VGOFRKELSA-N 2 2 389.946 4.102 20 0 GIADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3nc4ccccc4n3C3CC3)CC2)cc1 ZINC000184782690 822690190 /nfs/dbraw/zinc/69/01/90/822690190.db2.gz QTWUMVPGWZSXQV-UHFFFAOYSA-N 2 2 392.522 4.307 20 0 GIADLP Cc1cc([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)ccc1F ZINC000180496906 822691208 /nfs/dbraw/zinc/69/12/08/822691208.db2.gz BRFPDNHVMBBNBO-JTSKRJEESA-N 2 2 389.946 4.102 20 0 GIADLP CC1CC[NH+](Cc2csc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)n2)CC1 ZINC000050026795 822714899 /nfs/dbraw/zinc/71/48/99/822714899.db2.gz WMIOIXNXFPLKPR-UHFFFAOYSA-N 2 2 398.576 4.223 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(Br)cc(F)c1O ZINC000184937010 822715579 /nfs/dbraw/zinc/71/55/79/822715579.db2.gz ZFTKDYUGHIHTJT-LBPRGKRZSA-N 2 2 381.289 4.206 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(Br)cc(F)c1O ZINC000184937041 822715642 /nfs/dbraw/zinc/71/56/42/822715642.db2.gz ZFTKDYUGHIHTJT-GFCCVEGCSA-N 2 2 381.289 4.206 20 0 GIADLP COc1cc(C[NH2+]Cc2c[nH+]ccc2N(C)C)ccc1OCc1ccccc1 ZINC000185127420 822740425 /nfs/dbraw/zinc/74/04/25/822740425.db2.gz HAMCLYFYNONYBA-UHFFFAOYSA-N 2 2 377.488 4.025 20 0 GIADLP COc1ccc(C[C@H](C)C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1F ZINC000185242661 822753697 /nfs/dbraw/zinc/75/36/97/822753697.db2.gz BGRSQQJLQKNYLQ-IBGZPJMESA-N 2 2 399.554 4.047 20 0 GIADLP COc1ccc(C[C@H](C)C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1F ZINC000185242661 822753698 /nfs/dbraw/zinc/75/36/98/822753698.db2.gz BGRSQQJLQKNYLQ-IBGZPJMESA-N 2 2 399.554 4.047 20 0 GIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000174294312 822765247 /nfs/dbraw/zinc/76/52/47/822765247.db2.gz DZFDPKWYSGUCPQ-GFCCVEGCSA-N 2 2 391.865 4.148 20 0 GIADLP CC[N@@H+](Cc1csc(-c2ccccn2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395556 822783726 /nfs/dbraw/zinc/78/37/26/822783726.db2.gz XWEAGVBFUZBKQN-UHFFFAOYSA-N 2 2 393.560 4.339 20 0 GIADLP CC[N@H+](Cc1csc(-c2ccccn2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395556 822783729 /nfs/dbraw/zinc/78/37/29/822783729.db2.gz XWEAGVBFUZBKQN-UHFFFAOYSA-N 2 2 393.560 4.339 20 0 GIADLP C[C@@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730394 822815559 /nfs/dbraw/zinc/81/55/59/822815559.db2.gz MPHPEQOEGVBOMZ-CABCVRRESA-N 2 2 375.463 4.362 20 0 GIADLP C[C@@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730394 822815562 /nfs/dbraw/zinc/81/55/62/822815562.db2.gz MPHPEQOEGVBOMZ-CABCVRRESA-N 2 2 375.463 4.362 20 0 GIADLP C[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185750261 822817763 /nfs/dbraw/zinc/81/77/63/822817763.db2.gz PPMYLQFPSJIPRQ-ZBFHGGJFSA-N 2 2 375.463 4.362 20 0 GIADLP C[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750261 822817766 /nfs/dbraw/zinc/81/77/66/822817766.db2.gz PPMYLQFPSJIPRQ-ZBFHGGJFSA-N 2 2 375.463 4.362 20 0 GIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3csc(C(C)C)n3)cc2)CC1 ZINC000186250700 822864850 /nfs/dbraw/zinc/86/48/50/822864850.db2.gz MZCJFRBYMVTAJA-GOSISDBHSA-N 2 2 386.609 4.255 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000569054337 822874400 /nfs/dbraw/zinc/87/44/00/822874400.db2.gz HPBHXVRFGGVWRV-QIJUGHKUSA-N 2 2 388.515 4.252 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000569054337 822874402 /nfs/dbraw/zinc/87/44/02/822874402.db2.gz HPBHXVRFGGVWRV-QIJUGHKUSA-N 2 2 388.515 4.252 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569054337 822874404 /nfs/dbraw/zinc/87/44/04/822874404.db2.gz HPBHXVRFGGVWRV-QIJUGHKUSA-N 2 2 388.515 4.252 20 0 GIADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569054337 822874406 /nfs/dbraw/zinc/87/44/06/822874406.db2.gz HPBHXVRFGGVWRV-QIJUGHKUSA-N 2 2 388.515 4.252 20 0 GIADLP COc1ccccc1[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)OC(C)C ZINC000186379329 822884993 /nfs/dbraw/zinc/88/49/93/822884993.db2.gz CFDOZOAPPGGBCF-LJQANCHMSA-N 2 2 388.474 4.168 20 0 GIADLP C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000187256837 823031525 /nfs/dbraw/zinc/03/15/25/823031525.db2.gz MIWMXIGLWFMAKJ-NRFANRHFSA-N 2 2 376.903 4.109 20 0 GIADLP C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000187256837 823031528 /nfs/dbraw/zinc/03/15/28/823031528.db2.gz MIWMXIGLWFMAKJ-NRFANRHFSA-N 2 2 376.903 4.109 20 0 GIADLP Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411158184 823552709 /nfs/dbraw/zinc/55/27/09/823552709.db2.gz VPZZVIKWNXCZDT-UHFFFAOYSA-N 2 2 379.548 4.360 20 0 GIADLP Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411158184 823552711 /nfs/dbraw/zinc/55/27/11/823552711.db2.gz VPZZVIKWNXCZDT-UHFFFAOYSA-N 2 2 379.548 4.360 20 0 GIADLP COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000190441691 823574704 /nfs/dbraw/zinc/57/47/04/823574704.db2.gz JLNOBAGOUCBKPR-CQSZACIVSA-N 2 2 386.293 4.494 20 0 GIADLP Fc1cc(-c2ncco2)ccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000411687146 823597035 /nfs/dbraw/zinc/59/70/35/823597035.db2.gz FKFHIUDCFROEEP-SFHVURJKSA-N 2 2 380.467 4.393 20 0 GIADLP Fc1cc(-c2ncco2)ccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000411687146 823597038 /nfs/dbraw/zinc/59/70/38/823597038.db2.gz FKFHIUDCFROEEP-SFHVURJKSA-N 2 2 380.467 4.393 20 0 GIADLP Cc1ccc(Br)cc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000190696982 823599309 /nfs/dbraw/zinc/59/93/09/823599309.db2.gz DMAXCYSNVSBXEH-UHFFFAOYSA-N 2 2 379.264 4.264 20 0 GIADLP CCc1sc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124569365 823607277 /nfs/dbraw/zinc/60/72/77/823607277.db2.gz UHWANMZNXIIOQO-RBUKOAKNSA-N 2 2 391.625 4.028 20 0 GIADLP CCc1sc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124569365 823607279 /nfs/dbraw/zinc/60/72/79/823607279.db2.gz UHWANMZNXIIOQO-RBUKOAKNSA-N 2 2 391.625 4.028 20 0 GIADLP C[C@H](c1nnc(SCC[C@H]2CCC[N@@H+]2C)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000125075762 823650217 /nfs/dbraw/zinc/65/02/17/823650217.db2.gz PTPJTGPANKSAEL-RTBURBONSA-N 2 2 399.608 4.391 20 0 GIADLP C[C@H](c1nnc(SCC[C@H]2CCC[N@H+]2C)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000125075762 823650220 /nfs/dbraw/zinc/65/02/20/823650220.db2.gz PTPJTGPANKSAEL-RTBURBONSA-N 2 2 399.608 4.391 20 0 GIADLP CCOC(C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)OCC ZINC000125158751 823655687 /nfs/dbraw/zinc/65/56/87/823655687.db2.gz ZXMODTMBQZIGFS-UHFFFAOYSA-N 2 2 388.474 4.001 20 0 GIADLP CCOC(C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)OCC ZINC000125158751 823655689 /nfs/dbraw/zinc/65/56/89/823655689.db2.gz ZXMODTMBQZIGFS-UHFFFAOYSA-N 2 2 388.474 4.001 20 0 GIADLP C[N@H+](Cc1ccc(OCC2CC2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000191284397 823667300 /nfs/dbraw/zinc/66/73/00/823667300.db2.gz BJSRSUQNLFUEBX-UHFFFAOYSA-N 2 2 379.548 4.009 20 0 GIADLP C[N@@H+](Cc1ccc(OCC2CC2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000191284397 823667301 /nfs/dbraw/zinc/66/73/01/823667301.db2.gz BJSRSUQNLFUEBX-UHFFFAOYSA-N 2 2 379.548 4.009 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(-c2ccncc2)c1 ZINC000163761147 823745965 /nfs/dbraw/zinc/74/59/65/823745965.db2.gz OPOKWDAPUCLQRY-FQEVSTJZSA-N 2 2 387.527 4.432 20 0 GIADLP CC(C)([NH3+])c1noc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n1 ZINC000574573204 823770142 /nfs/dbraw/zinc/77/01/42/823770142.db2.gz YJPHFSPGXOLNIW-TZIWHRDSSA-N 2 2 376.504 4.214 20 0 GIADLP Cc1cccc2c(CC[NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)c[nH]c21 ZINC000164432845 823802832 /nfs/dbraw/zinc/80/28/32/823802832.db2.gz GSHNFAIPLKZYKZ-UHFFFAOYSA-N 2 2 376.548 4.343 20 0 GIADLP COC1CC[NH+](C(C)(C)C[NH2+]C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000462106421 823829220 /nfs/dbraw/zinc/82/92/20/823829220.db2.gz SRDOREXVPGKMPF-UHFFFAOYSA-N 2 2 380.576 4.319 20 0 GIADLP CN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165548320 823853522 /nfs/dbraw/zinc/85/35/22/823853522.db2.gz SZNFHBUCDRJGKX-UXHICEINSA-N 2 2 392.975 4.141 20 0 GIADLP CN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165548320 823853531 /nfs/dbraw/zinc/85/35/31/823853531.db2.gz SZNFHBUCDRJGKX-UXHICEINSA-N 2 2 392.975 4.141 20 0 GIADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166211742 823872815 /nfs/dbraw/zinc/87/28/15/823872815.db2.gz LDAGCCPVAVBXKY-WOJBJXKFSA-N 2 2 381.520 4.379 20 0 GIADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166211742 823872818 /nfs/dbraw/zinc/87/28/18/823872818.db2.gz LDAGCCPVAVBXKY-WOJBJXKFSA-N 2 2 381.520 4.379 20 0 GIADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC[C@@H]21 ZINC000166682703 823881208 /nfs/dbraw/zinc/88/12/08/823881208.db2.gz PEOZWPDSKRCVEM-YJBOKZPZSA-N 2 2 379.426 4.277 20 0 GIADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC[C@@H]21 ZINC000166682703 823881210 /nfs/dbraw/zinc/88/12/10/823881210.db2.gz PEOZWPDSKRCVEM-YJBOKZPZSA-N 2 2 379.426 4.277 20 0 GIADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC[C@@H]21 ZINC000166682703 823881212 /nfs/dbraw/zinc/88/12/12/823881212.db2.gz PEOZWPDSKRCVEM-YJBOKZPZSA-N 2 2 379.426 4.277 20 0 GIADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC[C@@H]21 ZINC000166682703 823881217 /nfs/dbraw/zinc/88/12/17/823881217.db2.gz PEOZWPDSKRCVEM-YJBOKZPZSA-N 2 2 379.426 4.277 20 0 GIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OCC2CC2)c1 ZINC000166918754 823884505 /nfs/dbraw/zinc/88/45/05/823884505.db2.gz JEYQMBOYAVKPCL-WMZHIEFXSA-N 2 2 379.548 4.179 20 0 GIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OCC2CC2)c1 ZINC000166918754 823884508 /nfs/dbraw/zinc/88/45/08/823884508.db2.gz JEYQMBOYAVKPCL-WMZHIEFXSA-N 2 2 379.548 4.179 20 0 GIADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)s1 ZINC000414113104 823912286 /nfs/dbraw/zinc/91/22/86/823912286.db2.gz KCHZJLUGCCOBQZ-OAHLLOKOSA-N 2 2 399.516 4.006 20 0 GIADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)s1 ZINC000414113104 823912295 /nfs/dbraw/zinc/91/22/95/823912295.db2.gz KCHZJLUGCCOBQZ-OAHLLOKOSA-N 2 2 399.516 4.006 20 0 GIADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000414246088 823939635 /nfs/dbraw/zinc/93/96/35/823939635.db2.gz RWPRQJYKOYWETC-UHFFFAOYSA-N 2 2 378.495 4.074 20 0 GIADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414936763 824051917 /nfs/dbraw/zinc/05/19/17/824051917.db2.gz HAMFSUJETSMXDQ-GAJHUEQPSA-N 2 2 375.516 4.409 20 0 GIADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)c(C)c1 ZINC000414941210 824052408 /nfs/dbraw/zinc/05/24/08/824052408.db2.gz LBSWTKZCOSSBOC-FDDCHVKYSA-N 2 2 375.516 4.463 20 0 GIADLP COc1ccc(Br)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000576029522 824053904 /nfs/dbraw/zinc/05/39/04/824053904.db2.gz PIRHOERVRKOSTP-UHFFFAOYSA-N 2 2 392.341 4.347 20 0 GIADLP CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)c4cccc(C)c4[nH+]3)CC2)CC1 ZINC001164613818 719022106 /nfs/dbraw/zinc/02/21/06/719022106.db2.gz GBGPHWBMFASSJT-UHFFFAOYSA-N 2 2 395.547 4.096 20 0 GIADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838521 720548080 /nfs/dbraw/zinc/54/80/80/720548080.db2.gz OGXWREKRIWFRHZ-SXWKCWPCSA-N 2 2 389.547 4.118 20 0 GIADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838521 720548085 /nfs/dbraw/zinc/54/80/85/720548085.db2.gz OGXWREKRIWFRHZ-SXWKCWPCSA-N 2 2 389.547 4.118 20 0 GIADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC001164844262 720666456 /nfs/dbraw/zinc/66/64/56/720666456.db2.gz ZQXLCILUAYIJOX-JOCHJYFZSA-N 2 2 387.527 4.495 20 0 GIADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC001164844262 720666467 /nfs/dbraw/zinc/66/64/67/720666467.db2.gz ZQXLCILUAYIJOX-JOCHJYFZSA-N 2 2 387.527 4.495 20 0 GIADLP C[C@H]1CN(c2ccccc2C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000459342447 823165804 /nfs/dbraw/zinc/16/58/04/823165804.db2.gz RDVLWBWANRCEIL-NRFANRHFSA-N 2 2 393.575 4.008 20 0 GIADLP C[C@H]1CN(c2ccccc2C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000459342447 823165812 /nfs/dbraw/zinc/16/58/12/823165812.db2.gz RDVLWBWANRCEIL-NRFANRHFSA-N 2 2 393.575 4.008 20 0 GIADLP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)[C@H]1Sc1ccccc1 ZINC000459364269 823173222 /nfs/dbraw/zinc/17/32/22/823173222.db2.gz JRKNIEPRGCDXPM-YTFSRNRJSA-N 2 2 393.556 4.359 20 0 GIADLP C[N@@H+]1CC[C@H]([NH2+][C@H](Cn2ccccc2=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000571466602 823186966 /nfs/dbraw/zinc/18/69/66/823186966.db2.gz BUINKQLJNWEWIH-VXNXHJTFSA-N 2 2 387.527 4.015 20 0 GIADLP C[N@H+]1CC[C@H]([NH2+][C@H](Cn2ccccc2=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000571466602 823186970 /nfs/dbraw/zinc/18/69/70/823186970.db2.gz BUINKQLJNWEWIH-VXNXHJTFSA-N 2 2 387.527 4.015 20 0 GIADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC1)c1ccccc1 ZINC000459446932 823193866 /nfs/dbraw/zinc/19/38/66/823193866.db2.gz PWRMGNDFFJHAID-HXUWFJFHSA-N 3 2 378.564 4.304 20 0 GIADLP [NH3+]CC[N@H+](CCc1ccccc1)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000571643012 823213680 /nfs/dbraw/zinc/21/36/80/823213680.db2.gz WZVLGGXIWSQUIL-UHFFFAOYSA-N 2 2 389.547 4.064 20 0 GIADLP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000571643012 823213684 /nfs/dbraw/zinc/21/36/84/823213684.db2.gz WZVLGGXIWSQUIL-UHFFFAOYSA-N 2 2 389.547 4.064 20 0 GIADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC000571725361 823225504 /nfs/dbraw/zinc/22/55/04/823225504.db2.gz NXFGZWZPHSSFOJ-UHFFFAOYSA-N 2 2 396.922 4.298 20 0 GIADLP Cc1cc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)ccc1Br ZINC000459667126 823246068 /nfs/dbraw/zinc/24/60/68/823246068.db2.gz SHHZZBKTLBABKU-UHFFFAOYSA-N 2 2 379.264 4.264 20 0 GIADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000572157773 823291663 /nfs/dbraw/zinc/29/16/63/823291663.db2.gz LJPYPXOAUFBZQE-UHFFFAOYSA-N 2 2 386.298 4.148 20 0 GIADLP Cc1cc(OC[C@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C(C)C)cc1Cl ZINC000176913258 823322806 /nfs/dbraw/zinc/32/28/06/823322806.db2.gz AVHBZWPGFGBGBI-GOSISDBHSA-N 2 2 391.943 4.045 20 0 GIADLP CCc1nc2c(s1)[C@@H]([NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)CCC2 ZINC000122342006 823340943 /nfs/dbraw/zinc/34/09/43/823340943.db2.gz YPJUZDXYRPIFSY-IBGZPJMESA-N 2 2 384.593 4.408 20 0 GIADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000017310182 818508014 /nfs/dbraw/zinc/50/80/14/818508014.db2.gz JEXLJFOHWJUKKE-UHFFFAOYSA-N 2 2 375.451 4.055 20 0 GIADLP Fc1cccc(-c2cnc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)o2)c1 ZINC000572530173 823355243 /nfs/dbraw/zinc/35/52/43/823355243.db2.gz MBCHVLSVJXXOIO-LEWJYISDSA-N 2 2 391.490 4.435 20 0 GIADLP Fc1cccc(-c2cnc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)o2)c1 ZINC000572530173 823355249 /nfs/dbraw/zinc/35/52/49/823355249.db2.gz MBCHVLSVJXXOIO-LEWJYISDSA-N 2 2 391.490 4.435 20 0 GIADLP Fc1cccc(-c2cnc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)o2)c1 ZINC000572530173 823355256 /nfs/dbraw/zinc/35/52/56/823355256.db2.gz MBCHVLSVJXXOIO-LEWJYISDSA-N 2 2 391.490 4.435 20 0 GIADLP Fc1cccc(-c2cnc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)o2)c1 ZINC000572530173 823355266 /nfs/dbraw/zinc/35/52/66/823355266.db2.gz MBCHVLSVJXXOIO-LEWJYISDSA-N 2 2 391.490 4.435 20 0 GIADLP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@@H](c2ncc[nH]2)c2ccncc2)cc1 ZINC000189059365 823350224 /nfs/dbraw/zinc/35/02/24/823350224.db2.gz OWSNCGUSJASKAV-XMMPIXPASA-N 2 2 397.526 4.413 20 0 GIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122769043 823408991 /nfs/dbraw/zinc/40/89/91/823408991.db2.gz ALDYWKKIWTYFER-DVECYGJZSA-N 2 2 391.515 4.287 20 0 GIADLP Brc1ccc(C[N@@H+](C/C=C/c2ccccc2)CCn2cc[nH+]c2)o1 ZINC000572921484 823420020 /nfs/dbraw/zinc/42/00/20/823420020.db2.gz MYHZYGVJHHLUNJ-QPJJXVBHSA-N 2 2 386.293 4.454 20 0 GIADLP Brc1ccc(C[N@H+](C/C=C/c2ccccc2)CCn2cc[nH+]c2)o1 ZINC000572921484 823420023 /nfs/dbraw/zinc/42/00/23/823420023.db2.gz MYHZYGVJHHLUNJ-QPJJXVBHSA-N 2 2 386.293 4.454 20 0 GIADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000573024313 823435448 /nfs/dbraw/zinc/43/54/48/823435448.db2.gz AJECAQLGHLEEBB-VXNXHJTFSA-N 2 2 376.544 4.203 20 0 GIADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000573024313 823435454 /nfs/dbraw/zinc/43/54/54/823435454.db2.gz AJECAQLGHLEEBB-VXNXHJTFSA-N 2 2 376.544 4.203 20 0 GIADLP CN1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@H]1c1ccccc1 ZINC000573205843 823465356 /nfs/dbraw/zinc/46/53/56/823465356.db2.gz DYCUZKCIPVHTJR-KMDXXIMOSA-N 2 2 375.560 4.219 20 0 GIADLP CN1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@H]1c1ccccc1 ZINC000573205843 823465359 /nfs/dbraw/zinc/46/53/59/823465359.db2.gz DYCUZKCIPVHTJR-KMDXXIMOSA-N 2 2 375.560 4.219 20 0 GIADLP c1cn(Cc2cccc(C[NH2+]Cc3ccccc3OCc3ccncc3)c2)c[nH+]1 ZINC000030901863 820706307 /nfs/dbraw/zinc/70/63/07/820706307.db2.gz XRWRPYHITPCXAA-UHFFFAOYSA-N 2 2 384.483 4.195 20 0 GIADLP Clc1cccc([C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCCC2)c1 ZINC000030911066 820707688 /nfs/dbraw/zinc/70/76/88/820707688.db2.gz VAIMLXLHVYEKFW-QFIPXVFZSA-N 2 2 380.923 4.452 20 0 GIADLP Cn1c(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)nc2cc(Cl)ccc21 ZINC000123783234 823540493 /nfs/dbraw/zinc/54/04/93/823540493.db2.gz SLACGBUDASUMER-UHFFFAOYSA-N 2 2 397.954 4.051 20 0 GIADLP C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180690218 821396772 /nfs/dbraw/zinc/39/67/72/821396772.db2.gz YRKILQSZXVQXJH-LIRRHRJNSA-N 2 2 375.394 4.275 20 0 GIADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc2)cc1Br ZINC000180859713 821498276 /nfs/dbraw/zinc/49/82/76/821498276.db2.gz TXAYJBBBYKIGHG-FQEVSTJZSA-N 2 2 389.337 4.231 20 0 GIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3nc4c(s3)CCCC4)cc2)CC1 ZINC000181204595 821695783 /nfs/dbraw/zinc/69/57/83/821695783.db2.gz GTUBIKZHTRZVQD-SFHVURJKSA-N 2 2 398.620 4.010 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ccc1F ZINC000181413152 821812640 /nfs/dbraw/zinc/81/26/40/821812640.db2.gz CXVBCDAOCIKDJO-BKTGTZMESA-N 2 2 399.348 4.007 20 0 GIADLP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431930 821823717 /nfs/dbraw/zinc/82/37/17/821823717.db2.gz FATOSBCDZMBIHO-FUHIMQAGSA-N 2 2 387.593 4.344 20 0 GIADLP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431930 821823728 /nfs/dbraw/zinc/82/37/28/821823728.db2.gz FATOSBCDZMBIHO-FUHIMQAGSA-N 2 2 387.593 4.344 20 0 GIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000181586726 821891432 /nfs/dbraw/zinc/89/14/32/821891432.db2.gz OALHJWRVJPUHJS-RBUKOAKNSA-N 2 2 392.547 4.085 20 0 GIADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000182090007 822089490 /nfs/dbraw/zinc/08/94/90/822089490.db2.gz OVKRROLSOVDGPP-RBUKOAKNSA-N 2 2 395.547 4.196 20 0 GIADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccc2c(c1)CCO2 ZINC000178534663 822389030 /nfs/dbraw/zinc/38/90/30/822389030.db2.gz QHKGHKARVMHHNI-RTBURBONSA-N 2 2 380.532 4.172 20 0 GIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ncc(Br)s1 ZINC000179195695 822449296 /nfs/dbraw/zinc/44/92/96/822449296.db2.gz WWCHUHRYECHBEI-CYBMUJFWSA-N 2 2 380.355 4.352 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 ZINC000183680705 822510249 /nfs/dbraw/zinc/51/02/49/822510249.db2.gz XDJZFSBZHXVNBV-HNNXBMFYSA-N 2 2 389.455 4.152 20 0 GIADLP C[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000184091019 822576507 /nfs/dbraw/zinc/57/65/07/822576507.db2.gz DMDCSBWDFBEHEG-MRXNPFEDSA-N 2 2 391.450 4.345 20 0 GIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1nc2ccc(Cl)cc2n1C ZINC000180005689 822594354 /nfs/dbraw/zinc/59/43/54/822594354.db2.gz VMWCXHCRJHKGNS-MRXNPFEDSA-N 2 2 393.922 4.365 20 0 GIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)[C@H](C)C1 ZINC000180114612 822618137 /nfs/dbraw/zinc/61/81/37/822618137.db2.gz KLGVUXOPLPLVSK-RYRKJORJSA-N 2 2 392.975 4.014 20 0 GIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)[C@H](C)C1 ZINC000180114612 822618139 /nfs/dbraw/zinc/61/81/39/822618139.db2.gz KLGVUXOPLPLVSK-RYRKJORJSA-N 2 2 392.975 4.014 20 0 GIADLP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000180171779 822632007 /nfs/dbraw/zinc/63/20/07/822632007.db2.gz QAPAYJCHOKUUGF-MNRDOXJOSA-N 2 2 386.486 4.438 20 0 GIADLP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000180171779 822632010 /nfs/dbraw/zinc/63/20/10/822632010.db2.gz QAPAYJCHOKUUGF-MNRDOXJOSA-N 2 2 386.486 4.438 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccn(-c3ccccc3F)n2)cc1 ZINC000180253508 822648726 /nfs/dbraw/zinc/64/87/26/822648726.db2.gz ZPTWURMRLTYPPK-INIZCTEOSA-N 2 2 375.451 4.356 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccn(-c3ccccc3F)n2)cc1 ZINC000180253486 822648767 /nfs/dbraw/zinc/64/87/67/822648767.db2.gz ZPTWURMRLTYPPK-MRXNPFEDSA-N 2 2 375.451 4.356 20 0 GIADLP CC[NH+](CC)[C@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)c1cccc(OC)c1 ZINC000455490731 822664729 /nfs/dbraw/zinc/66/47/29/822664729.db2.gz XKJJVRITWJHDAL-HXUWFJFHSA-N 2 2 384.524 4.220 20 0 GIADLP Cc1cc([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)ccc1F ZINC000180496967 822691237 /nfs/dbraw/zinc/69/12/37/822691237.db2.gz BRFPDNHVMBBNBO-VGOFRKELSA-N 2 2 389.946 4.102 20 0 GIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)CC3 ZINC000180561009 822702728 /nfs/dbraw/zinc/70/27/28/822702728.db2.gz VERPLBXOVNGJCJ-YYDVJCTNSA-N 2 2 388.559 4.229 20 0 GIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)CC3 ZINC000180561009 822702731 /nfs/dbraw/zinc/70/27/31/822702731.db2.gz VERPLBXOVNGJCJ-YYDVJCTNSA-N 2 2 388.559 4.229 20 0 GIADLP C[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185750240 822817646 /nfs/dbraw/zinc/81/76/46/822817646.db2.gz PPMYLQFPSJIPRQ-HOCLYGCPSA-N 2 2 375.463 4.362 20 0 GIADLP C[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750240 822817650 /nfs/dbraw/zinc/81/76/50/822817650.db2.gz PPMYLQFPSJIPRQ-HOCLYGCPSA-N 2 2 375.463 4.362 20 0 GIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174656202 822818992 /nfs/dbraw/zinc/81/89/92/822818992.db2.gz OVKDSISIXZFCFN-UHFFFAOYSA-N 2 2 377.454 4.239 20 0 GIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174656202 822818996 /nfs/dbraw/zinc/81/89/96/822818996.db2.gz OVKDSISIXZFCFN-UHFFFAOYSA-N 2 2 377.454 4.239 20 0 GIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3csc(C(C)C)n3)cc2)CC1 ZINC000186250681 822864904 /nfs/dbraw/zinc/86/49/04/822864904.db2.gz MZCJFRBYMVTAJA-SFHVURJKSA-N 2 2 386.609 4.255 20 0 GIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000187010663 822997013 /nfs/dbraw/zinc/99/70/13/822997013.db2.gz AYXKQJMHPMYESO-UZLBHIALSA-N 2 2 391.943 4.222 20 0 GIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000187010663 822997016 /nfs/dbraw/zinc/99/70/16/822997016.db2.gz AYXKQJMHPMYESO-UZLBHIALSA-N 2 2 391.943 4.222 20 0 GIADLP CC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000411153893 823552257 /nfs/dbraw/zinc/55/22/57/823552257.db2.gz CUDFXPBOEDEBTD-UHFFFAOYSA-N 2 2 390.531 4.343 20 0 GIADLP CC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000411153893 823552261 /nfs/dbraw/zinc/55/22/61/823552261.db2.gz CUDFXPBOEDEBTD-UHFFFAOYSA-N 2 2 390.531 4.343 20 0 GIADLP CCC(CC)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(OC)c(OC)c1 ZINC000461084093 823573045 /nfs/dbraw/zinc/57/30/45/823573045.db2.gz RWOZPEGEZJYDDH-UHFFFAOYSA-N 2 2 397.563 4.415 20 0 GIADLP C[C@H](c1nccs1)N1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411550011 823587635 /nfs/dbraw/zinc/58/76/35/823587635.db2.gz IYVRJDWIXPOMFR-LJQANCHMSA-N 2 2 384.593 4.008 20 0 GIADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000190843124 823615511 /nfs/dbraw/zinc/61/55/11/823615511.db2.gz MJHAIAYZHADKLD-UHFFFAOYSA-N 2 2 378.438 4.136 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000191501014 823692038 /nfs/dbraw/zinc/69/20/38/823692038.db2.gz XYJSCZBZLYHJGQ-UHFFFAOYSA-N 2 2 383.323 4.103 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000191501014 823692040 /nfs/dbraw/zinc/69/20/40/823692040.db2.gz XYJSCZBZLYHJGQ-UHFFFAOYSA-N 2 2 383.323 4.103 20 0 GIADLP COCC[NH+]1CCC([NH2+][C@@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000461788641 823695506 /nfs/dbraw/zinc/69/55/06/823695506.db2.gz AQODIUDXOOOFKE-HSZRJFAPSA-N 2 2 384.589 4.417 20 0 GIADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000574589771 823773508 /nfs/dbraw/zinc/77/35/08/823773508.db2.gz GBDPOCIXEHMVRQ-UHFFFAOYSA-N 2 2 393.984 4.443 20 0 GIADLP CC1(C)Oc2ccsc2[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1O ZINC000574756505 823819951 /nfs/dbraw/zinc/81/99/51/823819951.db2.gz ZQPANEJQMQACAV-QFUCXCTJSA-N 2 2 398.572 4.108 20 0 GIADLP CC1(C)Oc2ccsc2[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1O ZINC000574756505 823819955 /nfs/dbraw/zinc/81/99/55/823819955.db2.gz ZQPANEJQMQACAV-QFUCXCTJSA-N 2 2 398.572 4.108 20 0 GIADLP CN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165548450 823853796 /nfs/dbraw/zinc/85/37/96/823853796.db2.gz SZNFHBUCDRJGKX-PMACEKPBSA-N 2 2 392.975 4.141 20 0 GIADLP CN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165548450 823853800 /nfs/dbraw/zinc/85/38/00/823853800.db2.gz SZNFHBUCDRJGKX-PMACEKPBSA-N 2 2 392.975 4.141 20 0 GIADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1cccc(C(F)(F)F)c1 ZINC000126416675 823861835 /nfs/dbraw/zinc/86/18/35/823861835.db2.gz KWGKTFQCQCBINA-SFHVURJKSA-N 2 2 390.409 4.072 20 0 GIADLP CCc1nc2c(s1)[C@@H]([NH2+][C@H](CC[N@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994448 823868042 /nfs/dbraw/zinc/86/80/42/823868042.db2.gz YAJDSCJFKFSKFY-MOPGFXCFSA-N 2 2 387.593 4.382 20 0 GIADLP CCc1nc2c(s1)[C@@H]([NH2+][C@H](CC[N@@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994448 823868044 /nfs/dbraw/zinc/86/80/44/823868044.db2.gz YAJDSCJFKFSKFY-MOPGFXCFSA-N 2 2 387.593 4.382 20 0 GIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)[nH+]1 ZINC000166105929 823869976 /nfs/dbraw/zinc/86/99/76/823869976.db2.gz NUAAYNZMNMMTNU-GMAHTHKFSA-N 2 2 375.516 4.231 20 0 GIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166217207 823872903 /nfs/dbraw/zinc/87/29/03/823872903.db2.gz SRVRTHZMZFEZNZ-WOJBJXKFSA-N 2 2 381.520 4.379 20 0 GIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166217207 823872909 /nfs/dbraw/zinc/87/29/09/823872909.db2.gz SRVRTHZMZFEZNZ-WOJBJXKFSA-N 2 2 381.520 4.379 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)cn1 ZINC000126483886 823880563 /nfs/dbraw/zinc/88/05/63/823880563.db2.gz YGYUJCRADVDLKL-LBPRGKRZSA-N 2 2 376.382 4.167 20 0 GIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166714621 823881941 /nfs/dbraw/zinc/88/19/41/823881941.db2.gz HDNRCOUAXJSNEC-CJFMBICVSA-N 2 2 393.575 4.479 20 0 GIADLP CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3C)ccc2NC1=O ZINC000192159770 823885296 /nfs/dbraw/zinc/88/52/96/823885296.db2.gz LGWROGFYULNDSO-IIBYNOLFSA-N 2 2 390.487 4.141 20 0 GIADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167848383 823897155 /nfs/dbraw/zinc/89/71/55/823897155.db2.gz OIFHDCVDWVFHIA-CVEARBPZSA-N 2 2 388.943 4.171 20 0 GIADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000414071608 823901317 /nfs/dbraw/zinc/90/13/17/823901317.db2.gz KVHFJLXXFQPGTB-INIZCTEOSA-N 2 2 387.549 4.157 20 0 GIADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105330 823910775 /nfs/dbraw/zinc/91/07/75/823910775.db2.gz GODCFBPQYHPKEY-LAUBAEHRSA-N 2 2 393.556 4.228 20 0 GIADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105330 823910784 /nfs/dbraw/zinc/91/07/84/823910784.db2.gz GODCFBPQYHPKEY-LAUBAEHRSA-N 2 2 393.556 4.228 20 0 GIADLP CCc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355564 823963744 /nfs/dbraw/zinc/96/37/44/823963744.db2.gz AHVVQBZATAWQON-YLJYHZDGSA-N 2 2 392.469 4.231 20 0 GIADLP CCc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355564 823963753 /nfs/dbraw/zinc/96/37/53/823963753.db2.gz AHVVQBZATAWQON-YLJYHZDGSA-N 2 2 392.469 4.231 20 0 GIADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3cccc(C)c3[nH+]1)C2 ZINC001164808593 720076930 /nfs/dbraw/zinc/07/69/30/720076930.db2.gz IHJWFLPOJBCULW-HYBUGGRVSA-N 2 2 379.548 4.036 20 0 GIADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3cccc(C)c3[nH+]1)C2 ZINC001164808593 720076935 /nfs/dbraw/zinc/07/69/35/720076935.db2.gz IHJWFLPOJBCULW-HYBUGGRVSA-N 2 2 379.548 4.036 20 0 GIADLP Cc1ccc2c(C)cc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)[nH+]c2c1C ZINC001164788118 721428868 /nfs/dbraw/zinc/42/88/68/721428868.db2.gz RXTRLEDCVDULNY-QZTJIDSGSA-N 2 2 378.545 4.185 20 0 GIADLP Cc1cc(Cl)c(C)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165023505 721815512 /nfs/dbraw/zinc/81/55/12/721815512.db2.gz HGPGNVSMCPGQFI-HFSMHLIXSA-N 2 2 384.955 4.484 20 0 GIADLP Cc1cc(Cl)c(C)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165023505 721815513 /nfs/dbraw/zinc/81/55/13/721815513.db2.gz HGPGNVSMCPGQFI-HFSMHLIXSA-N 2 2 384.955 4.484 20 0 GIADLP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045965 823124488 /nfs/dbraw/zinc/12/44/88/823124488.db2.gz QTIPYAKEIKVFDV-PKTZIBPZSA-N 2 2 381.539 4.215 20 0 GIADLP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045965 823124490 /nfs/dbraw/zinc/12/44/90/823124490.db2.gz QTIPYAKEIKVFDV-PKTZIBPZSA-N 2 2 381.539 4.215 20 0 GIADLP C[C@@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000187746692 823124240 /nfs/dbraw/zinc/12/42/40/823124240.db2.gz UUKGGJVLDWVUDR-QGZVFWFLSA-N 2 2 382.508 4.090 20 0 GIADLP Brc1cccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000571051330 823125147 /nfs/dbraw/zinc/12/51/47/823125147.db2.gz ZOBGPJMGHLPHRX-DOTOQJQBSA-N 2 2 390.325 4.068 20 0 GIADLP Brc1cccc(-c2cnc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000571051330 823125153 /nfs/dbraw/zinc/12/51/53/823125153.db2.gz ZOBGPJMGHLPHRX-DOTOQJQBSA-N 2 2 390.325 4.068 20 0 GIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccsc3)CC2)cc1NC(C)=O ZINC000121314345 823161280 /nfs/dbraw/zinc/16/12/80/823161280.db2.gz GVZRBZJBYWHQOA-HNNXBMFYSA-N 2 2 387.549 4.030 20 0 GIADLP C[N@H+](CCCO)C1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459358740 823171049 /nfs/dbraw/zinc/17/10/49/823171049.db2.gz WZQVHONEPNPQEL-UITAMQMPSA-N 2 2 394.559 4.057 20 0 GIADLP C[N@@H+](CCCO)C1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459358740 823171053 /nfs/dbraw/zinc/17/10/53/823171053.db2.gz WZQVHONEPNPQEL-UITAMQMPSA-N 2 2 394.559 4.057 20 0 GIADLP C[N@H+](CCCO)C1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459358743 823171077 /nfs/dbraw/zinc/17/10/77/823171077.db2.gz WZQVHONEPNPQEL-WEVVVXLNSA-N 2 2 394.559 4.057 20 0 GIADLP C[N@@H+](CCCO)C1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459358743 823171079 /nfs/dbraw/zinc/17/10/79/823171079.db2.gz WZQVHONEPNPQEL-WEVVVXLNSA-N 2 2 394.559 4.057 20 0 GIADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000459376034 823176352 /nfs/dbraw/zinc/17/63/52/823176352.db2.gz ZPKOLUFKJYRJFP-UHFFFAOYSA-N 2 2 391.544 4.159 20 0 GIADLP CCCOc1ccc(Oc2ncccc2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459400266 823183784 /nfs/dbraw/zinc/18/37/84/823183784.db2.gz ZWPQKSUHOSKBGX-UHFFFAOYSA-N 2 2 381.520 4.379 20 0 GIADLP COCc1nc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000571845083 823244429 /nfs/dbraw/zinc/24/44/29/823244429.db2.gz UGWCLROFYUBZDD-HMXCVIKNSA-N 2 2 385.577 4.070 20 0 GIADLP COCc1nc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000571845083 823244431 /nfs/dbraw/zinc/24/44/31/823244431.db2.gz UGWCLROFYUBZDD-HMXCVIKNSA-N 2 2 385.577 4.070 20 0 GIADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)c3)s2)[C@@H](C[NH3+])C1 ZINC000572158478 823291731 /nfs/dbraw/zinc/29/17/31/823291731.db2.gz TZNDGHPZHQZMHJ-CVEARBPZSA-N 2 2 395.366 4.116 20 0 GIADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(Br)c3)s2)[C@@H](C[NH3+])C1 ZINC000572158478 823291734 /nfs/dbraw/zinc/29/17/34/823291734.db2.gz TZNDGHPZHQZMHJ-CVEARBPZSA-N 2 2 395.366 4.116 20 0 GIADLP C[NH+](C)Cc1cc(-c2noc([C@H](c3ccc(Cl)cc3)[NH+](C)C)n2)ccc1F ZINC000572179493 823295680 /nfs/dbraw/zinc/29/56/80/823295680.db2.gz XEOFQMHAGLMAGN-SFHVURJKSA-N 2 2 388.874 4.242 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000572326532 823321229 /nfs/dbraw/zinc/32/12/29/823321229.db2.gz XUBZBKLAMIJRLW-ACIOBRDBSA-N 2 2 391.559 4.084 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000572326532 823321236 /nfs/dbraw/zinc/32/12/36/823321236.db2.gz XUBZBKLAMIJRLW-ACIOBRDBSA-N 2 2 391.559 4.084 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000572326532 823321241 /nfs/dbraw/zinc/32/12/41/823321241.db2.gz XUBZBKLAMIJRLW-ACIOBRDBSA-N 2 2 391.559 4.084 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000572326532 823321247 /nfs/dbraw/zinc/32/12/47/823321247.db2.gz XUBZBKLAMIJRLW-ACIOBRDBSA-N 2 2 391.559 4.084 20 0 GIADLP CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000122336094 823339942 /nfs/dbraw/zinc/33/99/42/823339942.db2.gz LTBXOWATRACEJE-QFIPXVFZSA-N 2 2 397.563 4.480 20 0 GIADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000572864806 823411208 /nfs/dbraw/zinc/41/12/08/823411208.db2.gz FXKLVSKFLDXXCD-IHBAFOEMSA-N 2 2 398.378 4.118 20 0 GIADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000572864806 823411209 /nfs/dbraw/zinc/41/12/09/823411209.db2.gz FXKLVSKFLDXXCD-IHBAFOEMSA-N 2 2 398.378 4.118 20 0 GIADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000177335339 823438109 /nfs/dbraw/zinc/43/81/09/823438109.db2.gz KMZNAXNSDDOIQL-KRWDZBQOSA-N 2 2 375.557 4.105 20 0 GIADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)C[C@H](C)O1 ZINC000060368408 823520524 /nfs/dbraw/zinc/52/05/24/823520524.db2.gz CEDGNBIAFPVZLS-CALCHBBNSA-N 2 2 377.598 4.122 20 0 GIADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)C[C@H](C)O1 ZINC000060368408 823520527 /nfs/dbraw/zinc/52/05/27/823520527.db2.gz CEDGNBIAFPVZLS-CALCHBBNSA-N 2 2 377.598 4.122 20 0 GIADLP Cn1cc([C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c2cccc(F)c2)cn1 ZINC000180629338 821375086 /nfs/dbraw/zinc/37/50/86/821375086.db2.gz NFILNNRHIIEBBO-YHYVQYDKSA-N 2 2 398.551 4.383 20 0 GIADLP Cn1cc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c2cccc(F)c2)cn1 ZINC000180629338 821375096 /nfs/dbraw/zinc/37/50/96/821375096.db2.gz NFILNNRHIIEBBO-YHYVQYDKSA-N 2 2 398.551 4.383 20 0 GIADLP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180929250 821543264 /nfs/dbraw/zinc/54/32/64/821543264.db2.gz DKBLLKQUNLIEIF-INIZCTEOSA-N 2 2 390.959 4.014 20 0 GIADLP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180929250 821543275 /nfs/dbraw/zinc/54/32/75/821543275.db2.gz DKBLLKQUNLIEIF-INIZCTEOSA-N 2 2 390.959 4.014 20 0 GIADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c2ccccc2)cc1 ZINC000180960249 821557384 /nfs/dbraw/zinc/55/73/84/821557384.db2.gz QKTVQMHAYLDSGA-DSNGMDLFSA-N 2 2 394.559 4.142 20 0 GIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000181091283 821627991 /nfs/dbraw/zinc/62/79/91/821627991.db2.gz VYPQTCUOJOEZLE-UHFFFAOYSA-N 2 2 385.924 4.435 20 0 GIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000181091283 821627998 /nfs/dbraw/zinc/62/79/98/821627998.db2.gz VYPQTCUOJOEZLE-UHFFFAOYSA-N 2 2 385.924 4.435 20 0 GIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000181592421 821894131 /nfs/dbraw/zinc/89/41/31/821894131.db2.gz GGXXFHTUBCLJES-SFHVURJKSA-N 2 2 392.547 4.301 20 0 GIADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000182089986 822089279 /nfs/dbraw/zinc/08/92/79/822089279.db2.gz OVKRROLSOVDGPP-OALUTQOASA-N 2 2 395.547 4.196 20 0 GIADLP CC[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(Cl)cc1 ZINC000182307098 822196714 /nfs/dbraw/zinc/19/67/14/822196714.db2.gz XIIHLPQFYWGLNC-QGZVFWFLSA-N 2 2 392.956 4.072 20 0 GIADLP CN(C(=O)c1cccc(C(F)F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178877372 822418350 /nfs/dbraw/zinc/41/83/50/822418350.db2.gz DLCSCXKDVJBOEB-PMACEKPBSA-N 2 2 393.522 4.033 20 0 GIADLP CN(C(=O)c1cccc(C(F)F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178877372 822418352 /nfs/dbraw/zinc/41/83/52/822418352.db2.gz DLCSCXKDVJBOEB-PMACEKPBSA-N 2 2 393.522 4.033 20 0 GIADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000183078079 822421551 /nfs/dbraw/zinc/42/15/51/822421551.db2.gz VCOLROSABUQDHO-BJKOFHAPSA-N 2 2 394.559 4.220 20 0 GIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ncc(Br)s1 ZINC000179200743 822449983 /nfs/dbraw/zinc/44/99/83/822449983.db2.gz WBFAOCSHXWQAOC-CYBMUJFWSA-N 2 2 391.338 4.044 20 0 GIADLP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000183537523 822491710 /nfs/dbraw/zinc/49/17/10/822491710.db2.gz GMWAQJKCFWEMCE-IEBWSBKVSA-N 2 2 384.524 4.313 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000179554163 822502572 /nfs/dbraw/zinc/50/25/72/822502572.db2.gz ZYOGFHYFJCWSTP-IERDGZPVSA-N 2 2 387.930 4.406 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000179554163 822502574 /nfs/dbraw/zinc/50/25/74/822502574.db2.gz ZYOGFHYFJCWSTP-IERDGZPVSA-N 2 2 387.930 4.406 20 0 GIADLP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000183958121 822553849 /nfs/dbraw/zinc/55/38/49/822553849.db2.gz DJOPEGZLQJMQNQ-UGKGYDQZSA-N 2 2 379.548 4.012 20 0 GIADLP COc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000183958121 822553851 /nfs/dbraw/zinc/55/38/51/822553851.db2.gz DJOPEGZLQJMQNQ-UGKGYDQZSA-N 2 2 379.548 4.012 20 0 GIADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000179832940 822562457 /nfs/dbraw/zinc/56/24/57/822562457.db2.gz BJEMZWRKIVNXBZ-UHFFFAOYSA-N 2 2 384.568 4.276 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)cn1 ZINC000180033731 822601646 /nfs/dbraw/zinc/60/16/46/822601646.db2.gz CMQCUSCPHNZCJF-GOSISDBHSA-N 2 2 383.293 4.115 20 0 GIADLP Cc1cc(C)c(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C)[nH+]1 ZINC000455483044 822663240 /nfs/dbraw/zinc/66/32/40/822663240.db2.gz PVVHBRRPZYRWOM-UHFFFAOYSA-N 2 2 380.536 4.383 20 0 GIADLP Cc1cc(C)c(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C)[nH+]1 ZINC000455483044 822663241 /nfs/dbraw/zinc/66/32/41/822663241.db2.gz PVVHBRRPZYRWOM-UHFFFAOYSA-N 2 2 380.536 4.383 20 0 GIADLP Cc1cc(C)c(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c(C)[nH+]1 ZINC000455533013 822671488 /nfs/dbraw/zinc/67/14/88/822671488.db2.gz SYFAFOMUQIYUNV-HXUWFJFHSA-N 2 2 384.524 4.218 20 0 GIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000175109125 822884022 /nfs/dbraw/zinc/88/40/22/822884022.db2.gz ZLUFPIVWRFCUAA-UHFFFAOYSA-N 2 2 394.519 4.076 20 0 GIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000175109125 822884027 /nfs/dbraw/zinc/88/40/27/822884027.db2.gz ZLUFPIVWRFCUAA-UHFFFAOYSA-N 2 2 394.519 4.076 20 0 GIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CCCn2cc[nH+]c2)o1 ZINC000570128968 823008444 /nfs/dbraw/zinc/00/84/44/823008444.db2.gz RPMWWVNPBJGNMC-UHFFFAOYSA-N 2 2 375.476 4.159 20 0 GIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCCn2cc[nH+]c2)o1 ZINC000570128968 823008446 /nfs/dbraw/zinc/00/84/46/823008446.db2.gz RPMWWVNPBJGNMC-UHFFFAOYSA-N 2 2 375.476 4.159 20 0 GIADLP COc1ccc(-c2ccncc2)cc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000187115617 823012919 /nfs/dbraw/zinc/01/29/19/823012919.db2.gz FWACZQBBGBUIHZ-UHFFFAOYSA-N 2 2 398.510 4.334 20 0 GIADLP C[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000187256855 823031465 /nfs/dbraw/zinc/03/14/65/823031465.db2.gz MIWMXIGLWFMAKJ-OAQYLSRUSA-N 2 2 376.903 4.109 20 0 GIADLP C[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000187256855 823031469 /nfs/dbraw/zinc/03/14/69/823031469.db2.gz MIWMXIGLWFMAKJ-OAQYLSRUSA-N 2 2 376.903 4.109 20 0 GIADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000061003069 823572197 /nfs/dbraw/zinc/57/21/97/823572197.db2.gz YGEOXUJSJNJATG-UHFFFAOYSA-N 2 2 385.515 4.283 20 0 GIADLP Cc1c2ccccc2oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124548567 823605525 /nfs/dbraw/zinc/60/55/25/823605525.db2.gz LRAQYEMCNQWQRQ-RTWAWAEBSA-N 2 2 397.563 4.150 20 0 GIADLP Cc1c2ccccc2oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124548567 823605530 /nfs/dbraw/zinc/60/55/30/823605530.db2.gz LRAQYEMCNQWQRQ-RTWAWAEBSA-N 2 2 397.563 4.150 20 0 GIADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124669006 823615740 /nfs/dbraw/zinc/61/57/40/823615740.db2.gz BRWKZKRWWSFGJA-DHIUTWEWSA-N 2 2 385.596 4.219 20 0 GIADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124669006 823615742 /nfs/dbraw/zinc/61/57/42/823615742.db2.gz BRWKZKRWWSFGJA-DHIUTWEWSA-N 2 2 385.596 4.219 20 0 GIADLP c1cc([C@@H]2C[NH+](CCCC[N@@H+]3CCO[C@H](c4ccsc4)C3)CCO2)cs1 ZINC000125236334 823661288 /nfs/dbraw/zinc/66/12/88/823661288.db2.gz SFARBZWIAPQSSJ-PMACEKPBSA-N 2 2 392.590 4.037 20 0 GIADLP c1cc([C@@H]2C[NH+](CCCC[N@H+]3CCO[C@H](c4ccsc4)C3)CCO2)cs1 ZINC000125236334 823661290 /nfs/dbraw/zinc/66/12/90/823661290.db2.gz SFARBZWIAPQSSJ-PMACEKPBSA-N 2 2 392.590 4.037 20 0 GIADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cnc(C(C)(C)C)s3)CC2)c1 ZINC000063510841 823677091 /nfs/dbraw/zinc/67/70/91/823677091.db2.gz CFQCCRZEUOPBSN-UHFFFAOYSA-N 2 2 386.609 4.051 20 0 GIADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)CCS2 ZINC000191536430 823697171 /nfs/dbraw/zinc/69/71/71/823697171.db2.gz XUPSHUXERPFSJT-HRAATJIYSA-N 2 2 383.561 4.442 20 0 GIADLP CC(C)c1[nH+]c(CNc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c2ccccn21 ZINC000574404350 823720783 /nfs/dbraw/zinc/72/07/83/823720783.db2.gz NPKUPSKEZMQJNP-GOSISDBHSA-N 2 2 378.520 4.463 20 0 GIADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCO[C@@H]3CCCCO3)C2)cc1 ZINC000574416338 823723882 /nfs/dbraw/zinc/72/38/82/823723882.db2.gz QMOXPPOANYQQKD-ISJGIBHGSA-N 2 2 394.559 4.178 20 0 GIADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCO[C@@H]3CCCCO3)C2)cc1 ZINC000574416338 823723889 /nfs/dbraw/zinc/72/38/89/823723889.db2.gz QMOXPPOANYQQKD-ISJGIBHGSA-N 2 2 394.559 4.178 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1Br ZINC000163700969 823739406 /nfs/dbraw/zinc/73/94/06/823739406.db2.gz LKFCFMSISQAMGR-INIZCTEOSA-N 2 2 389.337 4.132 20 0 GIADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163730642 823742806 /nfs/dbraw/zinc/74/28/06/823742806.db2.gz BHGKNJCJMAMXAT-QFIPXVFZSA-N 2 2 378.516 4.055 20 0 GIADLP CC[N@H+](Cn1nc(C[NH+]2CCCC2)n(-c2ccccc2)c1=S)[C@H](C)C(C)C ZINC000064111928 823748045 /nfs/dbraw/zinc/74/80/45/823748045.db2.gz SGSRZTKRBNMNOV-GOSISDBHSA-N 2 2 387.597 4.323 20 0 GIADLP CC[N@@H+](Cn1nc(C[NH+]2CCCC2)n(-c2ccccc2)c1=S)[C@H](C)C(C)C ZINC000064111928 823748053 /nfs/dbraw/zinc/74/80/53/823748053.db2.gz SGSRZTKRBNMNOV-GOSISDBHSA-N 2 2 387.597 4.323 20 0 GIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000192055736 823845554 /nfs/dbraw/zinc/84/55/54/823845554.db2.gz ASOIVRLIKYCAJI-UHFFFAOYSA-N 2 2 384.524 4.012 20 0 GIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000192055736 823845564 /nfs/dbraw/zinc/84/55/64/823845564.db2.gz ASOIVRLIKYCAJI-UHFFFAOYSA-N 2 2 384.524 4.012 20 0 GIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126414090 823861395 /nfs/dbraw/zinc/86/13/95/823861395.db2.gz JRZLZGGWHKVGFX-AWEZNQCLSA-N 2 2 390.516 4.253 20 0 GIADLP C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000166177899 823871592 /nfs/dbraw/zinc/87/15/92/823871592.db2.gz GRSMMKZPZBAAIC-QGZVFWFLSA-N 2 2 396.485 4.466 20 0 GIADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1csc(-c2ccccc2)n1 ZINC000414060255 823898583 /nfs/dbraw/zinc/89/85/83/823898583.db2.gz JGRRKFFVDJQCLV-SFHVURJKSA-N 2 2 393.556 4.493 20 0 GIADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000414071842 823901463 /nfs/dbraw/zinc/90/14/63/823901463.db2.gz KVHFJLXXFQPGTB-MRXNPFEDSA-N 2 2 387.549 4.157 20 0 GIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(OC(F)F)c(F)c3)CC2)cc1 ZINC000168405894 823902584 /nfs/dbraw/zinc/90/25/84/823902584.db2.gz JIHHWENEOPHTSF-UHFFFAOYSA-N 2 2 393.453 4.252 20 0 GIADLP Brc1cccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)c1 ZINC000414114249 823912668 /nfs/dbraw/zinc/91/26/68/823912668.db2.gz AIJPTEUHXFRNLK-YLJYHZDGSA-N 2 2 382.305 4.409 20 0 GIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130826 823916476 /nfs/dbraw/zinc/91/64/76/823916476.db2.gz WXWYYFMASBNFAO-URLQWDBASA-N 2 2 380.458 4.173 20 0 GIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130826 823916481 /nfs/dbraw/zinc/91/64/81/823916481.db2.gz WXWYYFMASBNFAO-URLQWDBASA-N 2 2 380.458 4.173 20 0 GIADLP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1csc(-c2ccccc2)n1 ZINC000414165568 823921579 /nfs/dbraw/zinc/92/15/79/823921579.db2.gz PUXLNWLLCSMYNH-QGZVFWFLSA-N 2 2 396.560 4.386 20 0 GIADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cc2)n1 ZINC000065014612 823924887 /nfs/dbraw/zinc/92/48/87/823924887.db2.gz GLLVIKVWZHKIQV-UHFFFAOYSA-N 2 2 397.404 4.367 20 0 GIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311332 823952457 /nfs/dbraw/zinc/95/24/57/823952457.db2.gz BFMXEUMIIYQNQR-RTWAWAEBSA-N 2 2 393.579 4.242 20 0 GIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311332 823952469 /nfs/dbraw/zinc/95/24/69/823952469.db2.gz BFMXEUMIIYQNQR-RTWAWAEBSA-N 2 2 393.579 4.242 20 0 GIADLP COc1ccc(OCc2nc(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)cs2)cc1 ZINC000414804978 824037974 /nfs/dbraw/zinc/03/79/74/824037974.db2.gz FXHMBPMSNXFGLD-HNNXBMFYSA-N 2 2 383.517 4.040 20 0 GIADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000192623475 824048319 /nfs/dbraw/zinc/04/83/19/824048319.db2.gz SOVNTFRXXHFMOC-KRWDZBQOSA-N 2 2 384.395 4.028 20 0 GIADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000192623475 824048321 /nfs/dbraw/zinc/04/83/21/824048321.db2.gz SOVNTFRXXHFMOC-KRWDZBQOSA-N 2 2 384.395 4.028 20 0 GIADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3cc(F)cc4cccnc43)[C@@H](C)C2)s1 ZINC000359865944 209198218 /nfs/dbraw/zinc/19/82/18/209198218.db2.gz FEQRTASVAKEUIL-VBKZILBWSA-N 2 2 384.524 4.139 20 0 GIADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3cc(F)cc4cccnc43)[C@@H](C)C2)s1 ZINC000359865944 209198221 /nfs/dbraw/zinc/19/82/21/209198221.db2.gz FEQRTASVAKEUIL-VBKZILBWSA-N 2 2 384.524 4.139 20 0 GIADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)[nH+]c(C(C)(C)C)n2)CC3)cs1 ZINC001164691182 719814695 /nfs/dbraw/zinc/81/46/95/719814695.db2.gz AIRSNLJJIVQWDW-UHFFFAOYSA-N 2 2 399.608 4.482 20 0 GIADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)[nH+]c(C(C)(C)C)n2)CC3)cs1 ZINC001164691182 719814696 /nfs/dbraw/zinc/81/46/96/719814696.db2.gz AIRSNLJJIVQWDW-UHFFFAOYSA-N 2 2 399.608 4.482 20 0 GIADLP Cc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc(C(C)C)[nH+]1 ZINC001164840489 720663611 /nfs/dbraw/zinc/66/36/11/720663611.db2.gz MUIKRFARLZWNEQ-OAQYLSRUSA-N 2 2 394.563 4.168 20 0 GIADLP Cc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc(C(C)C)[nH+]1 ZINC001164840489 720663626 /nfs/dbraw/zinc/66/36/26/720663626.db2.gz MUIKRFARLZWNEQ-OAQYLSRUSA-N 2 2 394.563 4.168 20 0 GIADLP CSc1cc[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839619 720713050 /nfs/dbraw/zinc/71/30/50/720713050.db2.gz MEQZSGPGFZGPLE-LJQANCHMSA-N 2 2 383.561 4.063 20 0 GIADLP CSc1cc[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839619 720713061 /nfs/dbraw/zinc/71/30/61/720713061.db2.gz MEQZSGPGFZGPLE-LJQANCHMSA-N 2 2 383.561 4.063 20 0 GIADLP OC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1F ZINC000570514909 823048592 /nfs/dbraw/zinc/04/85/92/823048592.db2.gz XTWWEIIPHVXUKF-PXNSSMCTSA-N 2 2 388.914 4.299 20 0 GIADLP OC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1F ZINC000570514909 823048595 /nfs/dbraw/zinc/04/85/95/823048595.db2.gz XTWWEIIPHVXUKF-PXNSSMCTSA-N 2 2 388.914 4.299 20 0 GIADLP COc1ccc(OC(F)F)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000570551522 823053168 /nfs/dbraw/zinc/05/31/68/823053168.db2.gz GBHHLMNAISRWQP-UHFFFAOYSA-N 2 2 379.451 4.186 20 0 GIADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000570606919 823061230 /nfs/dbraw/zinc/06/12/30/823061230.db2.gz ICNKYLAWTAOSRI-UHFFFAOYSA-N 2 2 394.906 4.052 20 0 GIADLP CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459090432 823126433 /nfs/dbraw/zinc/12/64/33/823126433.db2.gz ZJYXXVFVQLYPQN-DENIHFKCSA-N 2 2 380.536 4.065 20 0 GIADLP CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000459090432 823126439 /nfs/dbraw/zinc/12/64/39/823126439.db2.gz ZJYXXVFVQLYPQN-DENIHFKCSA-N 2 2 380.536 4.065 20 0 GIADLP C[C@@H]1CN(c2ccccc2C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000459342448 823165932 /nfs/dbraw/zinc/16/59/32/823165932.db2.gz RDVLWBWANRCEIL-OAQYLSRUSA-N 2 2 393.575 4.008 20 0 GIADLP C[C@@H]1CN(c2ccccc2C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000459342448 823165934 /nfs/dbraw/zinc/16/59/34/823165934.db2.gz RDVLWBWANRCEIL-OAQYLSRUSA-N 2 2 393.575 4.008 20 0 GIADLP Cc1nnc(C[NH2+][C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)s1 ZINC000571349660 823169274 /nfs/dbraw/zinc/16/92/74/823169274.db2.gz XVFOVYMLMDOMSH-LJQANCHMSA-N 2 2 376.545 4.329 20 0 GIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(O)c2Br)[C@@H]1c1cccs1 ZINC000459441454 823192727 /nfs/dbraw/zinc/19/27/27/823192727.db2.gz VZSLTQWYRVNUCI-RDTXWAMCSA-N 2 2 395.366 4.389 20 0 GIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(O)c2Br)[C@@H]1c1cccs1 ZINC000459441454 823192728 /nfs/dbraw/zinc/19/27/28/823192728.db2.gz VZSLTQWYRVNUCI-RDTXWAMCSA-N 2 2 395.366 4.389 20 0 GIADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)c3)s2)[C@H](C[NH3+])C1 ZINC000572158479 823291789 /nfs/dbraw/zinc/29/17/89/823291789.db2.gz TZNDGHPZHQZMHJ-HOTGVXAUSA-N 2 2 395.366 4.116 20 0 GIADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(Br)c3)s2)[C@H](C[NH3+])C1 ZINC000572158479 823291792 /nfs/dbraw/zinc/29/17/92/823291792.db2.gz TZNDGHPZHQZMHJ-HOTGVXAUSA-N 2 2 395.366 4.116 20 0 GIADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000409730001 823292470 /nfs/dbraw/zinc/29/24/70/823292470.db2.gz FURKJFCGCWMERA-DOMZBBRYSA-N 2 2 378.289 4.057 20 0 GIADLP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000409730001 823292472 /nfs/dbraw/zinc/29/24/72/823292472.db2.gz FURKJFCGCWMERA-DOMZBBRYSA-N 2 2 378.289 4.057 20 0 GIADLP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4c(Br)ccc(F)c34)CC[C@H]21 ZINC000409731289 823293215 /nfs/dbraw/zinc/29/32/15/823293215.db2.gz YSLZLOBLVUTZCK-SWLSCSKDSA-N 2 2 378.289 4.057 20 0 GIADLP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4c(Br)ccc(F)c34)CC[C@H]21 ZINC000409731289 823293221 /nfs/dbraw/zinc/29/32/21/823293221.db2.gz YSLZLOBLVUTZCK-SWLSCSKDSA-N 2 2 378.289 4.057 20 0 GIADLP C[NH+](C)Cc1cc(-c2noc([C@@H](c3ccc(Cl)cc3)[NH+](C)C)n2)ccc1F ZINC000572179492 823295552 /nfs/dbraw/zinc/29/55/52/823295552.db2.gz XEOFQMHAGLMAGN-GOSISDBHSA-N 2 2 388.874 4.242 20 0 GIADLP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000057847165 823340877 /nfs/dbraw/zinc/34/08/77/823340877.db2.gz ZTIDCOBYFUHLFL-AWEZNQCLSA-N 2 2 386.367 4.374 20 0 GIADLP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000057847162 823340936 /nfs/dbraw/zinc/34/09/36/823340936.db2.gz PCCQRHRUNGVWNC-CQSZACIVSA-N 2 2 386.367 4.374 20 0 GIADLP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H](c3ccco3)[NH+](C)C)c2c1C ZINC000022344074 818794311 /nfs/dbraw/zinc/79/43/11/818794311.db2.gz DVSRAUCGTXPTDQ-INIZCTEOSA-N 2 2 399.564 4.212 20 0 GIADLP O=C(Nc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1)c1ccccc1Cl ZINC000022820524 818864335 /nfs/dbraw/zinc/86/43/35/818864335.db2.gz SBRUNJGGJPEPIZ-UHFFFAOYSA-N 2 2 383.923 4.309 20 0 GIADLP Cc1cccc(C)c1OCCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255940 823411157 /nfs/dbraw/zinc/41/11/57/823411157.db2.gz BJAHMQNLSNBMDH-UHFFFAOYSA-N 2 2 381.564 4.106 20 0 GIADLP Cc1cccc(C)c1OCCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255940 823411158 /nfs/dbraw/zinc/41/11/58/823411158.db2.gz BJAHMQNLSNBMDH-UHFFFAOYSA-N 2 2 381.564 4.106 20 0 GIADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC000177310111 823428932 /nfs/dbraw/zinc/42/89/32/823428932.db2.gz NPXQQVYWTBYZPK-HXUWFJFHSA-N 2 2 393.575 4.010 20 0 GIADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2Br)CC1 ZINC000041661400 821215987 /nfs/dbraw/zinc/21/59/87/821215987.db2.gz UKQSPWXPXQYWTK-LLVKDONJSA-N 2 2 390.163 4.347 20 0 GIADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1nccs1 ZINC000181200193 821692630 /nfs/dbraw/zinc/69/26/30/821692630.db2.gz FAFKJDIMOFSKIZ-IBGZPJMESA-N 2 2 392.572 4.316 20 0 GIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnc3ccccn23)cc1 ZINC000181234409 821711019 /nfs/dbraw/zinc/71/10/19/821711019.db2.gz WQQAFHCYJFCDLJ-UHFFFAOYSA-N 2 2 389.503 4.022 20 0 GIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnc3ccccn23)cc1 ZINC000181234409 821711027 /nfs/dbraw/zinc/71/10/27/821711027.db2.gz WQQAFHCYJFCDLJ-UHFFFAOYSA-N 2 2 389.503 4.022 20 0 GIADLP C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181394889 821805195 /nfs/dbraw/zinc/80/51/95/821805195.db2.gz IMDOYBBAYFFRSZ-AUUYWEPGSA-N 2 2 386.293 4.019 20 0 GIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000181586884 821891161 /nfs/dbraw/zinc/89/11/61/821891161.db2.gz IPKPWQWHCKDMHP-ZWKOTPCHSA-N 2 2 381.520 4.119 20 0 GIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000182197573 822142410 /nfs/dbraw/zinc/14/24/10/822142410.db2.gz HLUUVCCNZZLPFG-OAHLLOKOSA-N 2 2 391.918 4.177 20 0 GIADLP CCN(CC)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccccc1 ZINC000178131484 822328090 /nfs/dbraw/zinc/32/80/90/822328090.db2.gz BQGFENKYNXCFSR-JPYJTQIMSA-N 2 2 390.531 4.441 20 0 GIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000178149176 822333776 /nfs/dbraw/zinc/33/37/76/822333776.db2.gz SNSVSNKTRBBPPA-JXFKEZNVSA-N 2 2 393.453 4.023 20 0 GIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000178149176 822333789 /nfs/dbraw/zinc/33/37/89/822333789.db2.gz SNSVSNKTRBBPPA-JXFKEZNVSA-N 2 2 393.453 4.023 20 0 GIADLP CC[C@H](C)[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000182673259 822347295 /nfs/dbraw/zinc/34/72/95/822347295.db2.gz ZCSATKJNNVIBCG-HNNXBMFYSA-N 2 2 382.430 4.031 20 0 GIADLP CC[C@H](C)[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000182673259 822347304 /nfs/dbraw/zinc/34/73/04/822347304.db2.gz ZCSATKJNNVIBCG-HNNXBMFYSA-N 2 2 382.430 4.031 20 0 GIADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000178327300 822367655 /nfs/dbraw/zinc/36/76/55/822367655.db2.gz LHEJRJXTFGMPGM-NRFANRHFSA-N 2 2 390.474 4.078 20 0 GIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCC3)sc2C1 ZINC000453597029 822390814 /nfs/dbraw/zinc/39/08/14/822390814.db2.gz BCYYQKGJHJBCFQ-JOCHJYFZSA-N 2 2 399.604 4.293 20 0 GIADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCC3)sc2C1 ZINC000453597029 822390817 /nfs/dbraw/zinc/39/08/17/822390817.db2.gz BCYYQKGJHJBCFQ-JOCHJYFZSA-N 2 2 399.604 4.293 20 0 GIADLP Fc1ccc([C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc2)nc1 ZINC000183337649 822460634 /nfs/dbraw/zinc/46/06/34/822460634.db2.gz OUGWPMRQHLNQSS-XMMPIXPASA-N 2 2 386.474 4.387 20 0 GIADLP COc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)cc1Br ZINC000179469695 822487252 /nfs/dbraw/zinc/48/72/52/822487252.db2.gz OZRSWSVJHYRIDX-LJQANCHMSA-N 2 2 386.293 4.033 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180011449 822596033 /nfs/dbraw/zinc/59/60/33/822596033.db2.gz LKZCROZXJGRWIF-HNNXBMFYSA-N 2 2 379.895 4.322 20 0 GIADLP OC1CC[NH+](CCC[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000180212619 822640681 /nfs/dbraw/zinc/64/06/81/822640681.db2.gz LMUABZFOFCUSTM-NRFANRHFSA-N 2 2 376.903 4.005 20 0 GIADLP O[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(-c2ccccc2)cc1 ZINC000184586983 822661978 /nfs/dbraw/zinc/66/19/78/822661978.db2.gz FJAZSCNSYBYNTB-NRFANRHFSA-N 2 2 392.465 4.393 20 0 GIADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455867954 822739754 /nfs/dbraw/zinc/73/97/54/822739754.db2.gz VSBADEKUKJHQSN-IIBYNOLFSA-N 2 2 398.576 4.208 20 0 GIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000185171862 822745311 /nfs/dbraw/zinc/74/53/11/822745311.db2.gz UJGGWBJLXJTOCZ-UHFFFAOYSA-N 2 2 379.882 4.319 20 0 GIADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000185184545 822746688 /nfs/dbraw/zinc/74/66/88/822746688.db2.gz OIOFJKWYLBEBOH-UHFFFAOYSA-N 2 2 397.526 4.349 20 0 GIADLP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651438 822817924 /nfs/dbraw/zinc/81/79/24/822817924.db2.gz JSWJIBAUELLSCM-QZTJIDSGSA-N 2 2 384.524 4.170 20 0 GIADLP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655681 822818733 /nfs/dbraw/zinc/81/87/33/822818733.db2.gz BQVFHAREHPULFU-UHFFFAOYSA-N 2 2 377.454 4.239 20 0 GIADLP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655681 822818736 /nfs/dbraw/zinc/81/87/36/822818736.db2.gz BQVFHAREHPULFU-UHFFFAOYSA-N 2 2 377.454 4.239 20 0 GIADLP CCOc1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)co2)cc1 ZINC000185768088 822819340 /nfs/dbraw/zinc/81/93/40/822819340.db2.gz SAOZRQZTVLBGEO-PKOBYXMFSA-N 2 2 383.536 4.483 20 0 GIADLP CCOc1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)co2)cc1 ZINC000185768088 822819344 /nfs/dbraw/zinc/81/93/44/822819344.db2.gz SAOZRQZTVLBGEO-PKOBYXMFSA-N 2 2 383.536 4.483 20 0 GIADLP Cc1oc2ccccc2c1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000186135635 822854526 /nfs/dbraw/zinc/85/45/26/822854526.db2.gz ZXHNODXTGQMHES-RTWAWAEBSA-N 2 2 397.563 4.150 20 0 GIADLP Cc1oc2ccccc2c1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000186135635 822854528 /nfs/dbraw/zinc/85/45/28/822854528.db2.gz ZXHNODXTGQMHES-RTWAWAEBSA-N 2 2 397.563 4.150 20 0 GIADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000569973212 822991794 /nfs/dbraw/zinc/99/17/94/822991794.db2.gz AERQWQMOVCCUHA-LJQANCHMSA-N 2 2 387.462 4.049 20 0 GIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCS2 ZINC000187024965 822999858 /nfs/dbraw/zinc/99/98/58/822999858.db2.gz PSBWSLZOJICAJQ-QFIPXVFZSA-N 2 2 382.573 4.462 20 0 GIADLP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000187117872 823013249 /nfs/dbraw/zinc/01/32/49/823013249.db2.gz MRDIIQJMTARGRE-UHFFFAOYSA-N 2 2 384.483 4.292 20 0 GIADLP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H](c3ccccc3)c3cncnc3)C2)cc1 ZINC000570205918 823015265 /nfs/dbraw/zinc/01/52/65/823015265.db2.gz ROYWWNGDMQWYSA-RDGATRHJSA-N 2 2 386.543 4.458 20 0 GIADLP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H](c3ccccc3)c3cncnc3)C2)cc1 ZINC000570205918 823015267 /nfs/dbraw/zinc/01/52/67/823015267.db2.gz ROYWWNGDMQWYSA-RDGATRHJSA-N 2 2 386.543 4.458 20 0 GIADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1nnc(-c3ccc(Cl)cc3Cl)o1)C2 ZINC000124034126 823561480 /nfs/dbraw/zinc/56/14/80/823561480.db2.gz YAKFSZRRIDUZOP-YPMHNXCESA-N 2 2 392.290 4.214 20 0 GIADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000061003045 823572091 /nfs/dbraw/zinc/57/20/91/823572091.db2.gz CNAZXXHTQKLYMV-UHFFFAOYSA-N 2 2 377.517 4.036 20 0 GIADLP CSc1ccccc1NC(=O)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000411510762 823582649 /nfs/dbraw/zinc/58/26/49/823582649.db2.gz ZJIVBKQGFZLOSP-UHFFFAOYSA-N 2 2 386.565 4.126 20 0 GIADLP COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)cc2)c1 ZINC000062254280 823626704 /nfs/dbraw/zinc/62/67/04/823626704.db2.gz JYBYGILXWZVOJL-KRWDZBQOSA-N 2 2 381.476 4.119 20 0 GIADLP C[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)Cn1cc[nH+]c1 ZINC000062254426 823626752 /nfs/dbraw/zinc/62/67/52/823626752.db2.gz IMTILQBFRRYYQJ-FQEVSTJZSA-N 2 2 385.515 4.221 20 0 GIADLP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3c(O)ccc(Cl)c3F)CC2)cs1 ZINC000190997158 823636325 /nfs/dbraw/zinc/63/63/25/823636325.db2.gz IGMLSZKLVIGAKY-UHFFFAOYSA-N 2 2 397.947 4.205 20 0 GIADLP Cc1c([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cnn1C(C)(C)C ZINC000191312322 823670454 /nfs/dbraw/zinc/67/04/54/823670454.db2.gz ZYEXBLDJFPVOQR-KRWDZBQOSA-N 2 2 383.584 4.332 20 0 GIADLP CC[N@@H+](Cc1nccn1-c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000191387194 823679125 /nfs/dbraw/zinc/67/91/25/823679125.db2.gz PDJASZWUVZLGJW-UHFFFAOYSA-N 2 2 375.520 4.006 20 0 GIADLP CC[N@H+](Cc1nccn1-c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000191387194 823679126 /nfs/dbraw/zinc/67/91/26/823679126.db2.gz PDJASZWUVZLGJW-UHFFFAOYSA-N 2 2 375.520 4.006 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000191494326 823691231 /nfs/dbraw/zinc/69/12/31/823691231.db2.gz UNCZFVHDHHTQMQ-UHFFFAOYSA-N 2 2 383.323 4.103 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000191494326 823691233 /nfs/dbraw/zinc/69/12/33/823691233.db2.gz UNCZFVHDHHTQMQ-UHFFFAOYSA-N 2 2 383.323 4.103 20 0 GIADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)CCS2 ZINC000191536483 823697128 /nfs/dbraw/zinc/69/71/28/823697128.db2.gz XUPSHUXERPFSJT-IERDGZPVSA-N 2 2 383.561 4.442 20 0 GIADLP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCCO2 ZINC000163723291 823741725 /nfs/dbraw/zinc/74/17/25/823741725.db2.gz WEOUEIRYSQBNQU-HSZRJFAPSA-N 2 2 380.532 4.139 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000163757505 823746050 /nfs/dbraw/zinc/74/60/50/823746050.db2.gz ORLSTTYHDZDATA-INIZCTEOSA-N 2 2 394.437 4.268 20 0 GIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000163914994 823760257 /nfs/dbraw/zinc/76/02/57/823760257.db2.gz XZIOBNBDRLYAAV-ICSRJNTNSA-N 2 2 383.536 4.483 20 0 GIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000163914994 823760258 /nfs/dbraw/zinc/76/02/58/823760258.db2.gz XZIOBNBDRLYAAV-ICSRJNTNSA-N 2 2 383.536 4.483 20 0 GIADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1SC ZINC000126270114 823825661 /nfs/dbraw/zinc/82/56/61/823825661.db2.gz QPKJUESPBHUWPO-ZWOKBUDYSA-N 2 2 385.577 4.373 20 0 GIADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1SC ZINC000126270114 823825670 /nfs/dbraw/zinc/82/56/70/823825670.db2.gz QPKJUESPBHUWPO-ZWOKBUDYSA-N 2 2 385.577 4.373 20 0 GIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000192014723 823835162 /nfs/dbraw/zinc/83/51/62/823835162.db2.gz JUQJTOSQJBUOIO-UHFFFAOYSA-N 2 2 384.524 4.012 20 0 GIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000165990241 823868024 /nfs/dbraw/zinc/86/80/24/823868024.db2.gz IPVINDPFKSKHOW-UGKGYDQZSA-N 2 2 398.547 4.208 20 0 GIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000165990241 823868026 /nfs/dbraw/zinc/86/80/26/823868026.db2.gz IPVINDPFKSKHOW-UGKGYDQZSA-N 2 2 398.547 4.208 20 0 GIADLP CCS[C@H](C)c1noc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000126551481 823896669 /nfs/dbraw/zinc/89/66/69/823896669.db2.gz QKAYNZLFEZYSMR-QGZVFWFLSA-N 2 2 388.581 4.228 20 0 GIADLP CCS[C@H](C)c1noc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000126551481 823896671 /nfs/dbraw/zinc/89/66/71/823896671.db2.gz QKAYNZLFEZYSMR-QGZVFWFLSA-N 2 2 388.581 4.228 20 0 GIADLP Brc1cccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)c1 ZINC000414151818 823918753 /nfs/dbraw/zinc/91/87/53/823918753.db2.gz ZFRCDJYRAPBAHO-QUCCMNQESA-N 2 2 382.305 4.340 20 0 GIADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126671964 823923749 /nfs/dbraw/zinc/92/37/49/823923749.db2.gz GTHCFVJFHYTGMZ-LSDHHAIUSA-N 2 2 377.454 4.268 20 0 GIADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000414260866 823944866 /nfs/dbraw/zinc/94/48/66/823944866.db2.gz NDXPDZPRBBTPOQ-OXQOHEQNSA-N 2 2 388.353 4.153 20 0 GIADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000414260866 823944867 /nfs/dbraw/zinc/94/48/67/823944867.db2.gz NDXPDZPRBBTPOQ-OXQOHEQNSA-N 2 2 388.353 4.153 20 0 GIADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(Cl)c(Cl)cc1O ZINC000192616133 824046198 /nfs/dbraw/zinc/04/61/98/824046198.db2.gz KZXPJTNRAPVWJZ-CQSZACIVSA-N 2 2 395.330 4.382 20 0 GIADLP CCCc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(C)[nH+]1 ZINC001164795712 721497753 /nfs/dbraw/zinc/49/77/53/721497753.db2.gz KAVQDOGIAHDRRA-UHFFFAOYSA-N 2 2 379.552 4.014 20 0 GIADLP CCCc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc(C)[nH+]1 ZINC001164795712 721497755 /nfs/dbraw/zinc/49/77/55/721497755.db2.gz KAVQDOGIAHDRRA-UHFFFAOYSA-N 2 2 379.552 4.014 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(C(C)C)[nH+]1 ZINC001165021540 721823462 /nfs/dbraw/zinc/82/34/62/721823462.db2.gz GAOMDCVNAMOKKL-SESVDKBCSA-N 2 2 379.552 4.040 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(C(C)C)[nH+]1 ZINC001165021540 721823464 /nfs/dbraw/zinc/82/34/64/721823464.db2.gz GAOMDCVNAMOKKL-SESVDKBCSA-N 2 2 379.552 4.040 20 0 GIADLP COc1ccc2cc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164956066 722020618 /nfs/dbraw/zinc/02/06/18/722020618.db2.gz VYBLCVKCHBPBGI-UHFFFAOYSA-N 2 2 388.515 4.131 20 0 GIADLP COc1ccc2cc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164956066 722020622 /nfs/dbraw/zinc/02/06/22/722020622.db2.gz VYBLCVKCHBPBGI-UHFFFAOYSA-N 2 2 388.515 4.131 20 0 GIADLP Brc1cccc(-c2cnc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000571051332 823125313 /nfs/dbraw/zinc/12/53/13/823125313.db2.gz ZOBGPJMGHLPHRX-RDJZCZTQSA-N 2 2 390.325 4.068 20 0 GIADLP Brc1cccc(-c2cnc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000571051332 823125315 /nfs/dbraw/zinc/12/53/15/823125315.db2.gz ZOBGPJMGHLPHRX-RDJZCZTQSA-N 2 2 390.325 4.068 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000121249519 823147511 /nfs/dbraw/zinc/14/75/11/823147511.db2.gz SJOUDHYZOBPTHX-INIZCTEOSA-N 2 2 385.533 4.020 20 0 GIADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCc4[nH+]c[nH]c4C2)CCC3)cc1 ZINC000571211739 823149426 /nfs/dbraw/zinc/14/94/26/823149426.db2.gz CYPVHGLSGSPISJ-PBHICJAKSA-N 2 2 380.517 4.066 20 0 GIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000121263623 823150683 /nfs/dbraw/zinc/15/06/83/823150683.db2.gz KQIGFEAGWVFZQF-MRXNPFEDSA-N 2 2 397.548 4.273 20 0 GIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000121263623 823150685 /nfs/dbraw/zinc/15/06/85/823150685.db2.gz KQIGFEAGWVFZQF-MRXNPFEDSA-N 2 2 397.548 4.273 20 0 GIADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341415 823165079 /nfs/dbraw/zinc/16/50/79/823165079.db2.gz WFDAXRYMRIACQZ-JLXBBBJOSA-N 2 2 394.559 4.056 20 0 GIADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341415 823165083 /nfs/dbraw/zinc/16/50/83/823165083.db2.gz WFDAXRYMRIACQZ-JLXBBBJOSA-N 2 2 394.559 4.056 20 0 GIADLP Cc1cc(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)ccc1Br ZINC000459636751 823234864 /nfs/dbraw/zinc/23/48/64/823234864.db2.gz AINNUESGWGMQHZ-UHFFFAOYSA-N 2 2 394.382 4.270 20 0 GIADLP Cc1cc(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)ccc1Br ZINC000459636751 823234871 /nfs/dbraw/zinc/23/48/71/823234871.db2.gz AINNUESGWGMQHZ-UHFFFAOYSA-N 2 2 394.382 4.270 20 0 GIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459662766 823244538 /nfs/dbraw/zinc/24/45/38/823244538.db2.gz NXUHETGZUXRTQK-IBGZPJMESA-N 2 2 393.453 4.362 20 0 GIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459662766 823244545 /nfs/dbraw/zinc/24/45/45/823244545.db2.gz NXUHETGZUXRTQK-IBGZPJMESA-N 2 2 393.453 4.362 20 0 GIADLP Cc1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000572090100 823281911 /nfs/dbraw/zinc/28/19/11/823281911.db2.gz SQEDUFGAFVHBGD-QRWLVFNGSA-N 2 2 388.353 4.153 20 0 GIADLP Cc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000572090100 823281912 /nfs/dbraw/zinc/28/19/12/823281912.db2.gz SQEDUFGAFVHBGD-QRWLVFNGSA-N 2 2 388.353 4.153 20 0 GIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(SC(=O)N(C)C)cc3)C2)CC1 ZINC000176928653 823326321 /nfs/dbraw/zinc/32/63/21/823326321.db2.gz RWDLPCVJVXMHPV-FQEVSTJZSA-N 2 2 389.609 4.404 20 0 GIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(SC(=O)N(C)C)cc3)C2)CC1 ZINC000176928653 823326328 /nfs/dbraw/zinc/32/63/28/823326328.db2.gz RWDLPCVJVXMHPV-FQEVSTJZSA-N 2 2 389.609 4.404 20 0 GIADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889409 823345296 /nfs/dbraw/zinc/34/52/96/823345296.db2.gz RDZIOBXUQGYARQ-INIZCTEOSA-N 2 2 395.950 4.394 20 0 GIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000020683461 818629894 /nfs/dbraw/zinc/62/98/94/818629894.db2.gz KDHAAUSGBDDTON-QFIPXVFZSA-N 2 2 390.531 4.122 20 0 GIADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000020683461 818629898 /nfs/dbraw/zinc/62/98/98/818629898.db2.gz KDHAAUSGBDDTON-QFIPXVFZSA-N 2 2 390.531 4.122 20 0 GIADLP Fc1cccc(-c2cnc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)o2)c1 ZINC000572530176 823355336 /nfs/dbraw/zinc/35/53/36/823355336.db2.gz MBCHVLSVJXXOIO-SFTDATJTSA-N 2 2 391.490 4.435 20 0 GIADLP Fc1cccc(-c2cnc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)o2)c1 ZINC000572530176 823355347 /nfs/dbraw/zinc/35/53/47/823355347.db2.gz MBCHVLSVJXXOIO-SFTDATJTSA-N 2 2 391.490 4.435 20 0 GIADLP Fc1cccc(-c2cnc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)o2)c1 ZINC000572530176 823355354 /nfs/dbraw/zinc/35/53/54/823355354.db2.gz MBCHVLSVJXXOIO-SFTDATJTSA-N 2 2 391.490 4.435 20 0 GIADLP Fc1cccc(-c2cnc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)o2)c1 ZINC000572530176 823355364 /nfs/dbraw/zinc/35/53/64/823355364.db2.gz MBCHVLSVJXXOIO-SFTDATJTSA-N 2 2 391.490 4.435 20 0 GIADLP Fc1ccc([C@@H](C[C@H]2CCCO2)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000572532680 823355798 /nfs/dbraw/zinc/35/57/98/823355798.db2.gz ZXVZOEPKIAUCEZ-DHIUTWEWSA-N 2 2 379.479 4.471 20 0 GIADLP CC(C)c1ccc([C@@H](C)CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460485220 823404811 /nfs/dbraw/zinc/40/48/11/823404811.db2.gz CIOJOFBDYJMUSA-NRFANRHFSA-N 2 2 399.623 4.370 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)cc1 ZINC000177228293 823404883 /nfs/dbraw/zinc/40/48/83/823404883.db2.gz LAXKOPAGOQPKTQ-MRXNPFEDSA-N 2 2 389.337 4.132 20 0 GIADLP Cc1cc(C)cc(OCCC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000177260034 823412338 /nfs/dbraw/zinc/41/23/38/823412338.db2.gz ZPHFZCCHJNPSKS-UHFFFAOYSA-N 2 2 381.564 4.106 20 0 GIADLP Cc1cc(C)cc(OCCC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000177260034 823412342 /nfs/dbraw/zinc/41/23/42/823412342.db2.gz ZPHFZCCHJNPSKS-UHFFFAOYSA-N 2 2 381.564 4.106 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122768846 823409035 /nfs/dbraw/zinc/40/90/35/823409035.db2.gz ALDYWKKIWTYFER-CYFREDJKSA-N 2 2 391.515 4.287 20 0 GIADLP Fc1ccc(Br)cc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000060815057 823559359 /nfs/dbraw/zinc/55/93/59/823559359.db2.gz JFLKMKLXIZAEJX-UHFFFAOYSA-N 2 2 377.301 4.342 20 0 GIADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000030652062 820658532 /nfs/dbraw/zinc/65/85/32/820658532.db2.gz MOQHFUHMQQRXAZ-UHFFFAOYSA-N 2 2 399.542 4.391 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000177768367 823523158 /nfs/dbraw/zinc/52/31/58/823523158.db2.gz OPVWXBBLNJGTBD-DVECYGJZSA-N 2 2 375.516 4.114 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000177768367 823523161 /nfs/dbraw/zinc/52/31/61/823523161.db2.gz OPVWXBBLNJGTBD-DVECYGJZSA-N 2 2 375.516 4.114 20 0 GIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000177768380 823523306 /nfs/dbraw/zinc/52/33/06/823523306.db2.gz OPVWXBBLNJGTBD-CYFREDJKSA-N 2 2 375.516 4.114 20 0 GIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000177768380 823523308 /nfs/dbraw/zinc/52/33/08/823523308.db2.gz OPVWXBBLNJGTBD-CYFREDJKSA-N 2 2 375.516 4.114 20 0 GIADLP c1cn(Cc2ccc(C[NH2+]Cc3ccccc3OCc3cccnc3)cc2)c[nH+]1 ZINC000042228104 821288570 /nfs/dbraw/zinc/28/85/70/821288570.db2.gz RLTWBRIVEZECPH-UHFFFAOYSA-N 2 2 384.483 4.195 20 0 GIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000180697683 821401278 /nfs/dbraw/zinc/40/12/78/821401278.db2.gz HTPMTOQDUORQEN-KRWDZBQOSA-N 2 2 385.508 4.069 20 0 GIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000180697683 821401280 /nfs/dbraw/zinc/40/12/80/821401280.db2.gz HTPMTOQDUORQEN-KRWDZBQOSA-N 2 2 385.508 4.069 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)on1 ZINC000181118642 821644165 /nfs/dbraw/zinc/64/41/65/821644165.db2.gz CZGPAZVAEFGDKF-SFHVURJKSA-N 2 2 391.515 4.421 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)on1 ZINC000181118642 821644169 /nfs/dbraw/zinc/64/41/69/821644169.db2.gz CZGPAZVAEFGDKF-SFHVURJKSA-N 2 2 391.515 4.421 20 0 GIADLP C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181394825 821805219 /nfs/dbraw/zinc/80/52/19/821805219.db2.gz IMDOYBBAYFFRSZ-LIRRHRJNSA-N 2 2 386.293 4.019 20 0 GIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000181586744 821891090 /nfs/dbraw/zinc/89/10/90/821891090.db2.gz OALHJWRVJPUHJS-RTBURBONSA-N 2 2 392.547 4.085 20 0 GIADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)CCCO2 ZINC000181593095 821894539 /nfs/dbraw/zinc/89/45/39/821894539.db2.gz ZNFQNWGTTTYQGT-HTAPYJJXSA-N 2 2 381.520 4.119 20 0 GIADLP CCN(CC)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccccc1 ZINC000178131462 822327825 /nfs/dbraw/zinc/32/78/25/822327825.db2.gz BQGFENKYNXCFSR-MBSDFSHPSA-N 2 2 390.531 4.441 20 0 GIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000178708132 822404467 /nfs/dbraw/zinc/40/44/67/822404467.db2.gz OMYRLTIEHJUZOR-UHFFFAOYSA-N 2 2 390.531 4.074 20 0 GIADLP COc1ccc(-n2ccc(C[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)n2)cc1 ZINC000178712080 822404892 /nfs/dbraw/zinc/40/48/92/822404892.db2.gz KQKAOUPEKDADME-QGZVFWFLSA-N 2 2 387.487 4.226 20 0 GIADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000046155925 822445416 /nfs/dbraw/zinc/44/54/16/822445416.db2.gz BQVPWKAUVPRRTH-LJQANCHMSA-N 2 2 388.515 4.416 20 0 GIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000046155925 822445417 /nfs/dbraw/zinc/44/54/17/822445417.db2.gz BQVPWKAUVPRRTH-LJQANCHMSA-N 2 2 388.515 4.416 20 0 GIADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000183537557 822491692 /nfs/dbraw/zinc/49/16/92/822491692.db2.gz GMWAQJKCFWEMCE-MJGOQNOKSA-N 2 2 384.524 4.313 20 0 GIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ncc(C(C)C)s2)CC1 ZINC000183733808 822518315 /nfs/dbraw/zinc/51/83/15/822518315.db2.gz APKQVIKANRUATO-INIZCTEOSA-N 2 2 390.572 4.398 20 0 GIADLP CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c2ccc(F)cc2C1 ZINC000184511262 822648227 /nfs/dbraw/zinc/64/82/27/822648227.db2.gz SZALXXBPCHQRAG-MWTRTKDXSA-N 2 2 392.478 4.156 20 0 GIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000180263839 822650655 /nfs/dbraw/zinc/65/06/55/822650655.db2.gz OWKYBUPECQONEH-UHFFFAOYSA-N 2 2 386.499 4.387 20 0 GIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000180263839 822650659 /nfs/dbraw/zinc/65/06/59/822650659.db2.gz OWKYBUPECQONEH-UHFFFAOYSA-N 2 2 386.499 4.387 20 0 GIADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184955863 822718067 /nfs/dbraw/zinc/71/80/67/822718067.db2.gz PLJOXRBOTRGISQ-GFCCVEGCSA-N 2 2 377.311 4.120 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(Br)ccc1O ZINC000185134061 822741309 /nfs/dbraw/zinc/74/13/09/822741309.db2.gz UDZLQOMIIJLRGK-LBPRGKRZSA-N 2 2 390.256 4.330 20 0 GIADLP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1F ZINC000185308505 822763451 /nfs/dbraw/zinc/76/34/51/822763451.db2.gz LMTBTMHLJBPMED-ZWKOTPCHSA-N 2 2 385.527 4.223 20 0 GIADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000174301830 822767214 /nfs/dbraw/zinc/76/72/14/822767214.db2.gz MGRSSFVNNXGCAB-GFCCVEGCSA-N 2 2 398.391 4.486 20 0 GIADLP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651412 822817910 /nfs/dbraw/zinc/81/79/10/822817910.db2.gz JSWJIBAUELLSCM-MSOLQXFVSA-N 2 2 384.524 4.170 20 0 GIADLP C[N@H+](Cc1ccc(Br)s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655220 822818674 /nfs/dbraw/zinc/81/86/74/822818674.db2.gz DILLAOGREQTLCD-UHFFFAOYSA-N 2 2 394.382 4.045 20 0 GIADLP C[N@@H+](Cc1ccc(Br)s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655220 822818678 /nfs/dbraw/zinc/81/86/78/822818678.db2.gz DILLAOGREQTLCD-UHFFFAOYSA-N 2 2 394.382 4.045 20 0 GIADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000054224368 822869538 /nfs/dbraw/zinc/86/95/38/822869538.db2.gz ARQGRVKADUCALR-UHFFFAOYSA-N 2 2 378.451 4.250 20 0 GIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186400361 822888251 /nfs/dbraw/zinc/88/82/51/822888251.db2.gz SAIHCKDKDLVESZ-KRWDZBQOSA-N 2 2 381.520 4.042 20 0 GIADLP C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124341936 823588808 /nfs/dbraw/zinc/58/88/08/823588808.db2.gz ZOZZIRWWYJAKOB-SFHVURJKSA-N 2 2 394.544 4.383 20 0 GIADLP C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124341936 823588812 /nfs/dbraw/zinc/58/88/12/823588812.db2.gz ZOZZIRWWYJAKOB-SFHVURJKSA-N 2 2 394.544 4.383 20 0 GIADLP OC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cccc(Cl)c1F ZINC000411670563 823596106 /nfs/dbraw/zinc/59/61/06/823596106.db2.gz KYGTXNXUBRTCKL-HXUWFJFHSA-N 2 2 376.903 4.288 20 0 GIADLP Cc1cc(C)c(N2CC[C@@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2=O)c(C)c1 ZINC000190974401 823632990 /nfs/dbraw/zinc/63/29/90/823632990.db2.gz CIQGVDLBMAPYEK-JOCHJYFZSA-N 2 2 383.580 4.104 20 0 GIADLP COc1cccc2c(NCC3CC[NH+](Cc4nc(C)c(C)o4)CC3)cc(C)[nH+]c12 ZINC000125567861 823686089 /nfs/dbraw/zinc/68/60/89/823686089.db2.gz QUOBKZOQLUNDFE-UHFFFAOYSA-N 2 2 394.519 4.481 20 0 GIADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCS2 ZINC000163715788 823740843 /nfs/dbraw/zinc/74/08/43/823740843.db2.gz JMTNYEUQWKKTAZ-FQEVSTJZSA-N 2 2 388.964 4.499 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2F)cn1 ZINC000126098386 823786890 /nfs/dbraw/zinc/78/68/90/823786890.db2.gz RTGPXQAFQXIKBO-GFCCVEGCSA-N 2 2 389.272 4.328 20 0 GIADLP CCc1nc2c(s1)[C@H]([NH2+][C@@H](CC[N@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994042 823867830 /nfs/dbraw/zinc/86/78/30/823867830.db2.gz YAJDSCJFKFSKFY-RBUKOAKNSA-N 2 2 387.593 4.382 20 0 GIADLP CCc1nc2c(s1)[C@H]([NH2+][C@@H](CC[N@@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994042 823867838 /nfs/dbraw/zinc/86/78/38/823867838.db2.gz YAJDSCJFKFSKFY-RBUKOAKNSA-N 2 2 387.593 4.382 20 0 GIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166217312 823872933 /nfs/dbraw/zinc/87/29/33/823872933.db2.gz SRVRTHZMZFEZNZ-VQTJNVASSA-N 2 2 381.520 4.379 20 0 GIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166217312 823872936 /nfs/dbraw/zinc/87/29/36/823872936.db2.gz SRVRTHZMZFEZNZ-VQTJNVASSA-N 2 2 381.520 4.379 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)cn1 ZINC000126507984 823887108 /nfs/dbraw/zinc/88/71/08/823887108.db2.gz HCLYGZYPRVWYSS-SFHVURJKSA-N 2 2 388.393 4.251 20 0 GIADLP Clc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1Br ZINC000192165948 823888525 /nfs/dbraw/zinc/88/85/25/823888525.db2.gz KIRJBTSTPBKSSU-UHFFFAOYSA-N 2 2 380.717 4.256 20 0 GIADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000414065017 823899311 /nfs/dbraw/zinc/89/93/11/823899311.db2.gz OCEWHRRFAKLXNE-CVEARBPZSA-N 2 2 387.549 4.012 20 0 GIADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000414065017 823899320 /nfs/dbraw/zinc/89/93/20/823899320.db2.gz OCEWHRRFAKLXNE-CVEARBPZSA-N 2 2 387.549 4.012 20 0 GIADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000414075791 823902697 /nfs/dbraw/zinc/90/26/97/823902697.db2.gz XVHZUWLRARZDFV-HOTGVXAUSA-N 2 2 387.549 4.155 20 0 GIADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000414075791 823902705 /nfs/dbraw/zinc/90/27/05/823902705.db2.gz XVHZUWLRARZDFV-HOTGVXAUSA-N 2 2 387.549 4.155 20 0 GIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c(C)c1 ZINC000414156425 823919689 /nfs/dbraw/zinc/91/96/89/823919689.db2.gz WMSDLEVTEREAIP-GOSISDBHSA-N 2 2 395.547 4.277 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414245976 823939913 /nfs/dbraw/zinc/93/99/13/823939913.db2.gz UEBOIWVXGNODDW-UTKZUKDTSA-N 2 2 385.502 4.282 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414245976 823939923 /nfs/dbraw/zinc/93/99/23/823939923.db2.gz UEBOIWVXGNODDW-UTKZUKDTSA-N 2 2 385.502 4.282 20 0 GIADLP c1csc(C[N@H+]2CCC[C@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000126803563 823955345 /nfs/dbraw/zinc/95/53/45/823955345.db2.gz IFBSVAUJZFZWLM-JOCHJYFZSA-N 3 2 397.632 4.257 20 0 GIADLP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000126803563 823955353 /nfs/dbraw/zinc/95/53/53/823955353.db2.gz IFBSVAUJZFZWLM-JOCHJYFZSA-N 3 2 397.632 4.257 20 0 GIADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4nnc(C5CC5)s4)[C@@H]3C2)cc1 ZINC000414327557 823958910 /nfs/dbraw/zinc/95/89/10/823958910.db2.gz OSSDLRWMXRQLCF-ZCNNSNEGSA-N 2 2 382.577 4.196 20 0 GIADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4nnc(C5CC5)s4)[C@@H]3C2)cc1 ZINC000414327557 823958920 /nfs/dbraw/zinc/95/89/20/823958920.db2.gz OSSDLRWMXRQLCF-ZCNNSNEGSA-N 2 2 382.577 4.196 20 0 GIADLP COc1cccc2c1CC[C@@H]([NH2+]CC1([NH2+][C@H](C)c3ccccc3)CCOCC1)C2 ZINC000192443154 823995386 /nfs/dbraw/zinc/99/53/86/823995386.db2.gz DYODYQOABSQLIB-DENIHFKCSA-N 2 2 394.559 4.042 20 0 GIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000192629985 824050360 /nfs/dbraw/zinc/05/03/60/824050360.db2.gz ZFIXAAGHYPEGDG-MRXNPFEDSA-N 2 2 383.001 4.431 20 0 GIADLP CCCc1cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc(C)[nH+]1 ZINC001164692162 719811252 /nfs/dbraw/zinc/81/12/52/719811252.db2.gz MPIRSNDFWXEZAK-UHFFFAOYSA-N 2 2 385.581 4.137 20 0 GIADLP CCCc1cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc(C)[nH+]1 ZINC001164692162 719811253 /nfs/dbraw/zinc/81/12/53/719811253.db2.gz MPIRSNDFWXEZAK-UHFFFAOYSA-N 2 2 385.581 4.137 20 0 GIADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccc(C)c(C)c3[nH+]1)C2 ZINC001164815070 720173970 /nfs/dbraw/zinc/17/39/70/720173970.db2.gz HVLJEFAIKHCHKQ-OFVILXPXSA-N 2 2 393.575 4.345 20 0 GIADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccc(C)c(C)c3[nH+]1)C2 ZINC001164815070 720173980 /nfs/dbraw/zinc/17/39/80/720173980.db2.gz HVLJEFAIKHCHKQ-OFVILXPXSA-N 2 2 393.575 4.345 20 0 GIADLP CCSc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165021406 721829219 /nfs/dbraw/zinc/82/92/19/721829219.db2.gz FIFFIDWLQDWICF-WMQCIHAUSA-N 2 2 382.577 4.326 20 0 GIADLP CCSc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165021406 721829220 /nfs/dbraw/zinc/82/92/20/721829220.db2.gz FIFFIDWLQDWICF-WMQCIHAUSA-N 2 2 382.577 4.326 20 0 GIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1Br ZINC000120722000 823052496 /nfs/dbraw/zinc/05/24/96/823052496.db2.gz GTRZXKLUGBZEFD-OXJNMPFZSA-N 2 2 388.353 4.153 20 0 GIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1Br ZINC000120722000 823052503 /nfs/dbraw/zinc/05/25/03/823052503.db2.gz GTRZXKLUGBZEFD-OXJNMPFZSA-N 2 2 388.353 4.153 20 0 GIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570704223 823073804 /nfs/dbraw/zinc/07/38/04/823073804.db2.gz NRNXQOSPJTUKSZ-YOSAUDMPSA-N 2 2 382.548 4.068 20 0 GIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570704223 823073809 /nfs/dbraw/zinc/07/38/09/823073809.db2.gz NRNXQOSPJTUKSZ-YOSAUDMPSA-N 2 2 382.548 4.068 20 0 GIADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000570776481 823085869 /nfs/dbraw/zinc/08/58/69/823085869.db2.gz IJFCLKIOXNIOMG-UHFFFAOYSA-N 2 2 381.564 4.184 20 0 GIADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000571055859 823126044 /nfs/dbraw/zinc/12/60/44/823126044.db2.gz VUUJCLOJTNHEEO-IHBAFOEMSA-N 2 2 398.378 4.118 20 0 GIADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000571055859 823126046 /nfs/dbraw/zinc/12/60/46/823126046.db2.gz VUUJCLOJTNHEEO-IHBAFOEMSA-N 2 2 398.378 4.118 20 0 GIADLP CC(C)c1[nH+]c(CN(C)C2CC[NH+](CCC(F)(F)F)CC2)c2ccccn21 ZINC000571333282 823166843 /nfs/dbraw/zinc/16/68/43/823166843.db2.gz LFRJDOUEMSDETM-UHFFFAOYSA-N 2 2 382.474 4.306 20 0 GIADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000459365297 823173410 /nfs/dbraw/zinc/17/34/10/823173410.db2.gz ABRBOSNYDPJLHO-UHFFFAOYSA-N 2 2 380.561 4.336 20 0 GIADLP Cc1ccccc1-n1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)nn1 ZINC000571477236 823188357 /nfs/dbraw/zinc/18/83/57/823188357.db2.gz DCMROLZGIRXNHU-UHFFFAOYSA-N 2 2 389.547 4.097 20 0 GIADLP COCc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000459548175 823217479 /nfs/dbraw/zinc/21/74/79/823217479.db2.gz UTAWQAWVRBOECH-FTSXVACHSA-N 2 2 389.927 4.178 20 0 GIADLP COCc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000459548175 823217482 /nfs/dbraw/zinc/21/74/82/823217482.db2.gz UTAWQAWVRBOECH-FTSXVACHSA-N 2 2 389.927 4.178 20 0 GIADLP COc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1OC(F)F ZINC000121629747 823219067 /nfs/dbraw/zinc/21/90/67/823219067.db2.gz MJFCUASVDDIWSP-UHFFFAOYSA-N 2 2 390.474 4.393 20 0 GIADLP COc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1OC(F)F ZINC000121629747 823219073 /nfs/dbraw/zinc/21/90/73/823219073.db2.gz MJFCUASVDDIWSP-UHFFFAOYSA-N 2 2 390.474 4.393 20 0 GIADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000121678464 823228901 /nfs/dbraw/zinc/22/89/01/823228901.db2.gz FTBCZRWITALUPT-QGZVFWFLSA-N 2 2 380.536 4.031 20 0 GIADLP COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409656105 823275511 /nfs/dbraw/zinc/27/55/11/823275511.db2.gz LRJSXZQSDBKIBI-QGZVFWFLSA-N 2 2 376.504 4.469 20 0 GIADLP FC(F)(F)c1cccc(N2CC[NH+](CCCCNc3cccc[nH+]3)CC2)c1 ZINC000058583093 823412584 /nfs/dbraw/zinc/41/25/84/823412584.db2.gz OUUMIQPKQSKHBW-UHFFFAOYSA-N 2 2 378.442 4.115 20 0 GIADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)CC3 ZINC000123085414 823459589 /nfs/dbraw/zinc/45/95/89/823459589.db2.gz OLHHZHYGOZFNII-IBGZPJMESA-N 2 2 386.499 4.068 20 0 GIADLP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@H]1c1ccccc1 ZINC000573205845 823465145 /nfs/dbraw/zinc/46/51/45/823465145.db2.gz DYCUZKCIPVHTJR-TZRRMPRUSA-N 2 2 375.560 4.219 20 0 GIADLP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@H]1c1ccccc1 ZINC000573205845 823465148 /nfs/dbraw/zinc/46/51/48/823465148.db2.gz DYCUZKCIPVHTJR-TZRRMPRUSA-N 2 2 375.560 4.219 20 0 GIADLP CC1CC[NH+]([C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c2cccs2)CC1 ZINC000029434416 820454421 /nfs/dbraw/zinc/45/44/21/820454421.db2.gz JJXLMKWETKDGIX-HXUWFJFHSA-N 2 2 394.544 4.137 20 0 GIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000059263695 823487837 /nfs/dbraw/zinc/48/78/37/823487837.db2.gz ZCZFIAWEJYGLDE-LJQANCHMSA-N 2 2 395.507 4.072 20 0 GIADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123363060 823501684 /nfs/dbraw/zinc/50/16/84/823501684.db2.gz MNYHZRJIVJZLSW-CQSZACIVSA-N 2 2 386.367 4.374 20 0 GIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1Br ZINC000041641726 821215178 /nfs/dbraw/zinc/21/51/78/821215178.db2.gz UCRYZJDANGXHEJ-LLVKDONJSA-N 2 2 387.119 4.149 20 0 GIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1Br ZINC000041650560 821215749 /nfs/dbraw/zinc/21/57/49/821215749.db2.gz XKMQJULOLUFQAU-WDEREUQCSA-N 2 2 387.119 4.147 20 0 GIADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000042229135 821289249 /nfs/dbraw/zinc/28/92/49/821289249.db2.gz HUNLJWIYABIBGY-MRXNPFEDSA-N 2 2 393.362 4.121 20 0 GIADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000042229135 821289257 /nfs/dbraw/zinc/28/92/57/821289257.db2.gz HUNLJWIYABIBGY-MRXNPFEDSA-N 2 2 393.362 4.121 20 0 GIADLP C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180706959 821407650 /nfs/dbraw/zinc/40/76/50/821407650.db2.gz TWQMZUBSNMKMDP-HNNXBMFYSA-N 2 2 393.878 4.469 20 0 GIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533161 821601053 /nfs/dbraw/zinc/60/10/53/821601053.db2.gz DBSXSPWPJZWTQO-VXGBXAGGSA-N 2 2 390.163 4.204 20 0 GIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533161 821601058 /nfs/dbraw/zinc/60/10/58/821601058.db2.gz DBSXSPWPJZWTQO-VXGBXAGGSA-N 2 2 390.163 4.204 20 0 GIADLP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181100501 821631998 /nfs/dbraw/zinc/63/19/98/821631998.db2.gz DIRPJPFEUWKNNL-SFHVURJKSA-N 2 2 378.476 4.025 20 0 GIADLP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181100501 821632004 /nfs/dbraw/zinc/63/20/04/821632004.db2.gz DIRPJPFEUWKNNL-SFHVURJKSA-N 2 2 378.476 4.025 20 0 GIADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181136047 821655765 /nfs/dbraw/zinc/65/57/65/821655765.db2.gz ADOSOYPXXIDNHC-QGZVFWFLSA-N 2 2 379.504 4.277 20 0 GIADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181136047 821655772 /nfs/dbraw/zinc/65/57/72/821655772.db2.gz ADOSOYPXXIDNHC-QGZVFWFLSA-N 2 2 379.504 4.277 20 0 GIADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181136047 821655776 /nfs/dbraw/zinc/65/57/76/821655776.db2.gz ADOSOYPXXIDNHC-QGZVFWFLSA-N 2 2 379.504 4.277 20 0 GIADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181136047 821655779 /nfs/dbraw/zinc/65/57/79/821655779.db2.gz ADOSOYPXXIDNHC-QGZVFWFLSA-N 2 2 379.504 4.277 20 0 GIADLP C[C@H]([NH2+]CC1(C[NH2+][C@@H](C)c2cccc(F)c2F)COC1)c1cccc(F)c1F ZINC000182444707 822244534 /nfs/dbraw/zinc/24/45/34/822244534.db2.gz NGLPEGRRZDMFHO-KBPBESRZSA-N 2 2 396.428 4.261 20 0 GIADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691922 822352686 /nfs/dbraw/zinc/35/26/86/822352686.db2.gz AMLPGDFNPVAXRX-MGPUTAFESA-N 2 2 380.504 4.216 20 0 GIADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691922 822352701 /nfs/dbraw/zinc/35/27/01/822352701.db2.gz AMLPGDFNPVAXRX-MGPUTAFESA-N 2 2 380.504 4.216 20 0 GIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCc2cccnc2)CC1 ZINC000178991732 822427130 /nfs/dbraw/zinc/42/71/30/822427130.db2.gz OQTVDFJCSCZRSK-UHFFFAOYSA-N 2 2 377.454 4.239 20 0 GIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCc2cccnc2)CC1 ZINC000178991732 822427131 /nfs/dbraw/zinc/42/71/31/822427131.db2.gz OQTVDFJCSCZRSK-UHFFFAOYSA-N 2 2 377.454 4.239 20 0 GIADLP Cc1cc(C)c(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c[nH+]1 ZINC000454311237 822456345 /nfs/dbraw/zinc/45/63/45/822456345.db2.gz KWTVELBNIMEIKV-IBGZPJMESA-N 2 2 380.536 4.072 20 0 GIADLP Cc1cc(C)c(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c[nH+]1 ZINC000454311237 822456347 /nfs/dbraw/zinc/45/63/47/822456347.db2.gz KWTVELBNIMEIKV-IBGZPJMESA-N 2 2 380.536 4.072 20 0 GIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](c2ccco2)c2ccccc2)CC1 ZINC000183365590 822464316 /nfs/dbraw/zinc/46/43/16/822464316.db2.gz GEAGAQKTAMLVPB-VWLOTQADSA-N 2 2 389.543 4.296 20 0 GIADLP CC[C@H](C)[N@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179401792 822477630 /nfs/dbraw/zinc/47/76/30/822477630.db2.gz BZGFDTMGOZAKST-HOTGVXAUSA-N 2 2 385.474 4.229 20 0 GIADLP CC[C@H](C)[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179401792 822477631 /nfs/dbraw/zinc/47/76/31/822477631.db2.gz BZGFDTMGOZAKST-HOTGVXAUSA-N 2 2 385.474 4.229 20 0 GIADLP CC[C@H](C)[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179401792 822477632 /nfs/dbraw/zinc/47/76/32/822477632.db2.gz BZGFDTMGOZAKST-HOTGVXAUSA-N 2 2 385.474 4.229 20 0 GIADLP CC[C@H](C)[NH+](CC[C@@H]1CCC[N@H+]1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179401792 822477633 /nfs/dbraw/zinc/47/76/33/822477633.db2.gz BZGFDTMGOZAKST-HOTGVXAUSA-N 2 2 385.474 4.229 20 0 GIADLP Cc1ccc(N2CCC(C(=O)Nc3cccc4c3C[N@H+](CC(C)C)C4)CC2)[nH+]c1 ZINC000179767655 822548247 /nfs/dbraw/zinc/54/82/47/822548247.db2.gz NYQFHYFAUHBQHN-UHFFFAOYSA-N 2 2 392.547 4.217 20 0 GIADLP Cc1ccc(N2CCC(C(=O)Nc3cccc4c3C[N@@H+](CC(C)C)C4)CC2)[nH+]c1 ZINC000179767655 822548251 /nfs/dbraw/zinc/54/82/51/822548251.db2.gz NYQFHYFAUHBQHN-UHFFFAOYSA-N 2 2 392.547 4.217 20 0 GIADLP C[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000184091002 822576526 /nfs/dbraw/zinc/57/65/26/822576526.db2.gz DMDCSBWDFBEHEG-INIZCTEOSA-N 2 2 391.450 4.345 20 0 GIADLP Clc1ccccc1[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000179963613 822586712 /nfs/dbraw/zinc/58/67/12/822586712.db2.gz IUJKCCGFLQAMAY-OAQYLSRUSA-N 2 2 383.879 4.077 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180008948 822595172 /nfs/dbraw/zinc/59/51/72/822595172.db2.gz MWUPNJWYMJIDGB-HNNXBMFYSA-N 2 2 379.895 4.322 20 0 GIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCO[C@H]2CCCc3ccccc32)CC1 ZINC000180173437 822632434 /nfs/dbraw/zinc/63/24/34/822632434.db2.gz KROHVEKMYYEWNQ-FQEVSTJZSA-N 2 2 384.486 4.477 20 0 GIADLP CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c2ccc(F)cc2C1 ZINC000184511223 822648007 /nfs/dbraw/zinc/64/80/07/822648007.db2.gz SZALXXBPCHQRAG-WAIKUNEKSA-N 2 2 392.478 4.156 20 0 GIADLP CC[N@@H+](Cc1c(C2CC2)nc2sccn12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180367520 822671014 /nfs/dbraw/zinc/67/10/14/822671014.db2.gz HKQWYWQUROURAJ-UHFFFAOYSA-N 2 2 395.576 4.407 20 0 GIADLP CC[N@H+](Cc1c(C2CC2)nc2sccn12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180367520 822671016 /nfs/dbraw/zinc/67/10/16/822671016.db2.gz HKQWYWQUROURAJ-UHFFFAOYSA-N 2 2 395.576 4.407 20 0 GIADLP CC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395519 822783602 /nfs/dbraw/zinc/78/36/02/822783602.db2.gz GKLQQLXVLMWXRU-UHFFFAOYSA-N 2 2 395.482 4.009 20 0 GIADLP CC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395519 822783605 /nfs/dbraw/zinc/78/36/05/822783605.db2.gz GKLQQLXVLMWXRU-UHFFFAOYSA-N 2 2 395.482 4.009 20 0 GIADLP C[C@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185715437 822813558 /nfs/dbraw/zinc/81/35/58/822813558.db2.gz BUUPJQHFPXXEPE-ROUUACIJSA-N 2 2 396.554 4.243 20 0 GIADLP C[C@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185715437 822813561 /nfs/dbraw/zinc/81/35/61/822813561.db2.gz BUUPJQHFPXXEPE-ROUUACIJSA-N 2 2 396.554 4.243 20 0 GIADLP C[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185750200 822817437 /nfs/dbraw/zinc/81/74/37/822817437.db2.gz PPMYLQFPSJIPRQ-GOEBONIOSA-N 2 2 375.463 4.362 20 0 GIADLP C[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750200 822817440 /nfs/dbraw/zinc/81/74/40/822817440.db2.gz PPMYLQFPSJIPRQ-GOEBONIOSA-N 2 2 375.463 4.362 20 0 GIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2csc(C(C)C)n2)CC1 ZINC000186250742 822865060 /nfs/dbraw/zinc/86/50/60/822865060.db2.gz DDWKFMWRCKJQKM-GOSISDBHSA-N 2 2 386.609 4.255 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000186645152 822928757 /nfs/dbraw/zinc/92/87/57/822928757.db2.gz VYYFWFDEAJFLLQ-QMHKHESXSA-N 2 2 389.478 4.494 20 0 GIADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000570331460 823026490 /nfs/dbraw/zinc/02/64/90/823026490.db2.gz NVULCRBCMGISTA-GOSISDBHSA-N 2 2 395.551 4.082 20 0 GIADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000570331460 823026492 /nfs/dbraw/zinc/02/64/92/823026492.db2.gz NVULCRBCMGISTA-GOSISDBHSA-N 2 2 395.551 4.082 20 0 GIADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1nnc(-c3ccc(Cl)cc3Cl)o1)C2 ZINC000124033708 823561449 /nfs/dbraw/zinc/56/14/49/823561449.db2.gz YAKFSZRRIDUZOP-AAEUAGOBSA-N 2 2 392.290 4.214 20 0 GIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(-c3ccco3)on2)CC1 ZINC000411449867 823575814 /nfs/dbraw/zinc/57/58/14/823575814.db2.gz FPCPZNKTWWEZTN-INIZCTEOSA-N 2 2 398.482 4.066 20 0 GIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1C ZINC000411481438 823579967 /nfs/dbraw/zinc/57/99/67/823579967.db2.gz XMEGJOOJSNPYGH-GOEBONIOSA-N 2 2 392.503 4.250 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cn(-c2ccccc2)nn1 ZINC000411532166 823585297 /nfs/dbraw/zinc/58/52/97/823585297.db2.gz KRDKKXNXUAKVMQ-IBGZPJMESA-N 2 2 375.520 4.104 20 0 GIADLP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124331326 823587772 /nfs/dbraw/zinc/58/77/72/823587772.db2.gz DSILTZFYRCHEPK-JOCHJYFZSA-N 2 2 376.504 4.202 20 0 GIADLP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124331326 823587776 /nfs/dbraw/zinc/58/77/76/823587776.db2.gz DSILTZFYRCHEPK-JOCHJYFZSA-N 2 2 376.504 4.202 20 0 GIADLP CCOc1cccc(/C=[NH+]/CC2CC[NH+](Cc3ccc(OC)cc3)CC2)c1O ZINC000062692428 823644280 /nfs/dbraw/zinc/64/42/80/823644280.db2.gz HMOJTZYONSLZMO-LFVJCYFKSA-N 2 2 382.504 4.131 20 0 GIADLP CCOc1ccc(O)c(/C=[NH+]/CC2CC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000062692431 823644290 /nfs/dbraw/zinc/64/42/90/823644290.db2.gz KABRUVMERXAGGI-LFVJCYFKSA-N 2 2 382.504 4.131 20 0 GIADLP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125492583 823680494 /nfs/dbraw/zinc/68/04/94/823680494.db2.gz WJWRPHFWHGPVOB-SFHVURJKSA-N 3 2 380.561 4.497 20 0 GIADLP CCC[NH+]1CCC(NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000461794417 823696251 /nfs/dbraw/zinc/69/62/51/823696251.db2.gz ARUGKDSZTAPYCS-JOCHJYFZSA-N 2 2 383.605 4.312 20 0 GIADLP CCC[NH+]1CCC(NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000461794417 823696254 /nfs/dbraw/zinc/69/62/54/823696254.db2.gz ARUGKDSZTAPYCS-JOCHJYFZSA-N 2 2 383.605 4.312 20 0 GIADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1Cl ZINC000574428225 823726123 /nfs/dbraw/zinc/72/61/23/823726123.db2.gz YLOBNEXBHAINJM-QGZVFWFLSA-N 2 2 396.922 4.400 20 0 GIADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1OC(F)F ZINC000163736428 823743353 /nfs/dbraw/zinc/74/33/53/823743353.db2.gz VLMRNGIGVNZNON-FQEVSTJZSA-N 2 2 390.474 4.361 20 0 GIADLP CC[NH+]1CCC([NH2+]Cc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)CC1 ZINC000462036654 823806109 /nfs/dbraw/zinc/80/61/09/823806109.db2.gz FRZPDIKKJSAJAQ-UHFFFAOYSA-N 2 2 380.458 4.082 20 0 GIADLP COc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)ccc1OC(F)F ZINC000126343788 823844285 /nfs/dbraw/zinc/84/42/85/823844285.db2.gz ZEFPOTHHZMOHIZ-ZDUSSCGKSA-N 2 2 388.418 4.037 20 0 GIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CN1C1CC1 ZINC000165576043 823854138 /nfs/dbraw/zinc/85/41/38/823854138.db2.gz JKIHSAFYHPDJSF-XXBNENTESA-N 2 2 386.543 4.313 20 0 GIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CN1C1CC1 ZINC000165576280 823854261 /nfs/dbraw/zinc/85/42/61/823854261.db2.gz JKIHSAFYHPDJSF-AUSIDOKSSA-N 2 2 386.543 4.313 20 0 GIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000165990615 823868097 /nfs/dbraw/zinc/86/80/97/823868097.db2.gz IPVINDPFKSKHOW-DENIHFKCSA-N 2 2 398.547 4.208 20 0 GIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000165990615 823868101 /nfs/dbraw/zinc/86/81/01/823868101.db2.gz IPVINDPFKSKHOW-DENIHFKCSA-N 2 2 398.547 4.208 20 0 GIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000166640356 823880571 /nfs/dbraw/zinc/88/05/71/823880571.db2.gz UIWQUEJKNHVCDK-WLRLJWMZSA-N 3 2 395.513 4.305 20 0 GIADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000166640356 823880577 /nfs/dbraw/zinc/88/05/77/823880577.db2.gz UIWQUEJKNHVCDK-WLRLJWMZSA-N 3 2 395.513 4.305 20 0 GIADLP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000166640356 823880579 /nfs/dbraw/zinc/88/05/79/823880579.db2.gz UIWQUEJKNHVCDK-WLRLJWMZSA-N 3 2 395.513 4.305 20 0 GIADLP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000166640356 823880586 /nfs/dbraw/zinc/88/05/86/823880586.db2.gz UIWQUEJKNHVCDK-WLRLJWMZSA-N 3 2 395.513 4.305 20 0 GIADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000414065018 823899285 /nfs/dbraw/zinc/89/92/85/823899285.db2.gz OCEWHRRFAKLXNE-HOTGVXAUSA-N 2 2 387.549 4.012 20 0 GIADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000414065018 823899291 /nfs/dbraw/zinc/89/92/91/823899291.db2.gz OCEWHRRFAKLXNE-HOTGVXAUSA-N 2 2 387.549 4.012 20 0 GIADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)s1 ZINC000414075792 823903112 /nfs/dbraw/zinc/90/31/12/823903112.db2.gz XVHZUWLRARZDFV-HZPDHXFCSA-N 2 2 387.549 4.155 20 0 GIADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)s1 ZINC000414075792 823903123 /nfs/dbraw/zinc/90/31/23/823903123.db2.gz XVHZUWLRARZDFV-HZPDHXFCSA-N 2 2 387.549 4.155 20 0 GIADLP COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(F)c1 ZINC000126670127 823923173 /nfs/dbraw/zinc/92/31/73/823923173.db2.gz YHCBFUAHLVZCOV-HZPDHXFCSA-N 2 2 389.490 4.137 20 0 GIADLP Fc1cccc(F)c1C1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000414240694 823937445 /nfs/dbraw/zinc/93/74/45/823937445.db2.gz NRNUNBQHVUGCAV-UHFFFAOYSA-N 2 2 376.413 4.393 20 0 GIADLP COc1cccc2c1CC[C@H]([NH2+]CC1([NH2+][C@@H](C)c3ccccc3)CCOCC1)C2 ZINC000192443156 823995163 /nfs/dbraw/zinc/99/51/63/823995163.db2.gz DYODYQOABSQLIB-UGKGYDQZSA-N 2 2 394.559 4.042 20 0 GIADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414936786 824051779 /nfs/dbraw/zinc/05/17/79/824051779.db2.gz HAMFSUJETSMXDQ-HXOBKFHXSA-N 2 2 375.516 4.409 20 0 GIADLP FC1(F)CCN(c2cccc(C3CC3)[nH+]2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913468 721736488 /nfs/dbraw/zinc/73/64/88/721736488.db2.gz VXSKUKHTKWVWOT-OAQYLSRUSA-N 2 2 384.474 4.092 20 0 GIADLP FC1(F)CCN(c2cccc(C3CC3)[nH+]2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913468 721736494 /nfs/dbraw/zinc/73/64/94/721736494.db2.gz VXSKUKHTKWVWOT-OAQYLSRUSA-N 2 2 384.474 4.092 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001165021549 721823558 /nfs/dbraw/zinc/82/35/58/721823558.db2.gz GAOMDCVNAMOKKL-TYPHKJRUSA-N 2 2 379.552 4.040 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001165021549 721823559 /nfs/dbraw/zinc/82/35/59/721823559.db2.gz GAOMDCVNAMOKKL-TYPHKJRUSA-N 2 2 379.552 4.040 20 0 GIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3c([nH+]2)CCCC3)CC1 ZINC001165021552 721840373 /nfs/dbraw/zinc/84/03/73/721840373.db2.gz OEIKZWWPLBSIQE-UHFFFAOYSA-N 2 2 395.547 4.078 20 0 GIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C(C)C)c[nH+]2)CC1 ZINC001165022590 721841545 /nfs/dbraw/zinc/84/15/45/721841545.db2.gz PTQHYQLPQDGBNF-UHFFFAOYSA-N 2 2 383.536 4.323 20 0 GIADLP Cc1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164995014 722209473 /nfs/dbraw/zinc/20/94/73/722209473.db2.gz KJTOBRNJTWSPAL-QHCPKHFHSA-N 2 2 382.527 4.467 20 0 GIADLP Cc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164995014 722209474 /nfs/dbraw/zinc/20/94/74/722209474.db2.gz KJTOBRNJTWSPAL-QHCPKHFHSA-N 2 2 382.527 4.467 20 0 GIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000056155022 823091130 /nfs/dbraw/zinc/09/11/30/823091130.db2.gz OBJZTQRPXQCARK-XMMPIXPASA-N 2 2 391.559 4.028 20 0 GIADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000121247021 823146951 /nfs/dbraw/zinc/14/69/51/823146951.db2.gz DVHRIJOSDSZDSS-FQEVSTJZSA-N 2 2 378.520 4.173 20 0 GIADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000121247021 823146952 /nfs/dbraw/zinc/14/69/52/823146952.db2.gz DVHRIJOSDSZDSS-FQEVSTJZSA-N 2 2 378.520 4.173 20 0 GIADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000121247021 823146953 /nfs/dbraw/zinc/14/69/53/823146953.db2.gz DVHRIJOSDSZDSS-FQEVSTJZSA-N 2 2 378.520 4.173 20 0 GIADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000121247021 823146954 /nfs/dbraw/zinc/14/69/54/823146954.db2.gz DVHRIJOSDSZDSS-FQEVSTJZSA-N 2 2 378.520 4.173 20 0 GIADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCc4[nH+]c[nH]c4C2)CCC3)cc1 ZINC000571211740 823149310 /nfs/dbraw/zinc/14/93/10/823149310.db2.gz CYPVHGLSGSPISJ-RHSMWYFYSA-N 2 2 380.517 4.066 20 0 GIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccsc3)CC2)cc1NC(C)=O ZINC000121314511 823161630 /nfs/dbraw/zinc/16/16/30/823161630.db2.gz GVZRBZJBYWHQOA-OAHLLOKOSA-N 2 2 387.549 4.030 20 0 GIADLP CC1CC[NH+]([C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)CC1 ZINC000459371175 823174718 /nfs/dbraw/zinc/17/47/18/823174718.db2.gz JFBJEBPNSAYEBV-XMMPIXPASA-N 3 2 378.564 4.113 20 0 GIADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)[C@@H](C[NH3+])C1 ZINC000571403547 823178051 /nfs/dbraw/zinc/17/80/51/823178051.db2.gz LFQCBHGQHNRRFF-HZPDHXFCSA-N 2 2 384.467 4.372 20 0 GIADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)[C@@H](C[NH3+])C1 ZINC000571403547 823178054 /nfs/dbraw/zinc/17/80/54/823178054.db2.gz LFQCBHGQHNRRFF-HZPDHXFCSA-N 2 2 384.467 4.372 20 0 GIADLP Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000571464673 823186739 /nfs/dbraw/zinc/18/67/39/823186739.db2.gz CKOGRIMQXRIHIO-HXUWFJFHSA-N 2 2 399.966 4.477 20 0 GIADLP Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000571464673 823186744 /nfs/dbraw/zinc/18/67/44/823186744.db2.gz CKOGRIMQXRIHIO-HXUWFJFHSA-N 2 2 399.966 4.477 20 0 GIADLP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000571928131 823255597 /nfs/dbraw/zinc/25/55/97/823255597.db2.gz BYLXVZMECWAXNJ-CRAIPNDOSA-N 2 2 396.457 4.052 20 0 GIADLP Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000459729072 823257410 /nfs/dbraw/zinc/25/74/10/823257410.db2.gz GEZAUWAPAFMUJI-OJJQZRKESA-N 2 2 393.550 4.010 20 0 GIADLP Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000459729072 823257415 /nfs/dbraw/zinc/25/74/15/823257415.db2.gz GEZAUWAPAFMUJI-OJJQZRKESA-N 2 2 393.550 4.010 20 0 GIADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)c3)s2)[C@@H](C[NH3+])C1 ZINC000572158480 823291782 /nfs/dbraw/zinc/29/17/82/823291782.db2.gz TZNDGHPZHQZMHJ-HZPDHXFCSA-N 2 2 395.366 4.116 20 0 GIADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(Br)c3)s2)[C@@H](C[NH3+])C1 ZINC000572158480 823291784 /nfs/dbraw/zinc/29/17/84/823291784.db2.gz TZNDGHPZHQZMHJ-HZPDHXFCSA-N 2 2 395.366 4.116 20 0 GIADLP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4c(Br)ccc(F)c34)CC[C@@H]21 ZINC000409731284 823293161 /nfs/dbraw/zinc/29/31/61/823293161.db2.gz YSLZLOBLVUTZCK-DOMZBBRYSA-N 2 2 378.289 4.057 20 0 GIADLP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4c(Br)ccc(F)c34)CC[C@@H]21 ZINC000409731284 823293164 /nfs/dbraw/zinc/29/31/64/823293164.db2.gz YSLZLOBLVUTZCK-DOMZBBRYSA-N 2 2 378.289 4.057 20 0 GIADLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1-c1ccccc1 ZINC000460251278 823330777 /nfs/dbraw/zinc/33/07/77/823330777.db2.gz MWXWTCZSHLINLO-UHFFFAOYSA-N 2 2 394.563 4.152 20 0 GIADLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1-c1ccccc1 ZINC000460251278 823330786 /nfs/dbraw/zinc/33/07/86/823330786.db2.gz MWXWTCZSHLINLO-UHFFFAOYSA-N 2 2 394.563 4.152 20 0 GIADLP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000057847159 823340815 /nfs/dbraw/zinc/34/08/15/823340815.db2.gz PCCQRHRUNGVWNC-AWEZNQCLSA-N 2 2 386.367 4.374 20 0 GIADLP O=C(Nc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1)c1ccc(Cl)cc1 ZINC000022820606 818864145 /nfs/dbraw/zinc/86/41/45/818864145.db2.gz CEUIESGLAZCXOR-UHFFFAOYSA-N 2 2 383.923 4.309 20 0 GIADLP c1cn(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)c[nH+]1 ZINC000024082106 819020520 /nfs/dbraw/zinc/02/05/20/819020520.db2.gz HOEDMYJDKOTBEP-UHFFFAOYSA-N 2 2 397.482 4.331 20 0 GIADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)CC3 ZINC000123085641 823459490 /nfs/dbraw/zinc/45/94/90/823459490.db2.gz OLHHZHYGOZFNII-LJQANCHMSA-N 2 2 386.499 4.068 20 0 GIADLP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177488998 823474309 /nfs/dbraw/zinc/47/43/09/823474309.db2.gz CVDRZYNDWOOHSV-RTBURBONSA-N 2 2 389.584 4.006 20 0 GIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000059263692 823487630 /nfs/dbraw/zinc/48/76/30/823487630.db2.gz ZCZFIAWEJYGLDE-IBGZPJMESA-N 2 2 395.507 4.072 20 0 GIADLP CCSCc1cc[nH+]c(NCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000123281169 823490170 /nfs/dbraw/zinc/49/01/70/823490170.db2.gz QXLSQTPWFSLBAY-UHFFFAOYSA-N 2 2 384.593 4.477 20 0 GIADLP CN(c1ccccc1C[NH2+]Cc1coc(-c2cccs2)n1)C1CC[NH+](C)CC1 ZINC000177566059 823492469 /nfs/dbraw/zinc/49/24/69/823492469.db2.gz BGECHLFMNCKYOV-UHFFFAOYSA-N 2 2 396.560 4.223 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649475 821381980 /nfs/dbraw/zinc/38/19/80/821381980.db2.gz CVLBEBUSKUXMPG-IBGZPJMESA-N 2 2 388.515 4.349 20 0 GIADLP c1sc(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)nc1C1CCCCC1 ZINC000181016317 821595308 /nfs/dbraw/zinc/59/53/08/821595308.db2.gz BNDHVQOZDQIRRQ-UHFFFAOYSA-N 2 2 384.593 4.383 20 0 GIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000181108213 821638172 /nfs/dbraw/zinc/63/81/72/821638172.db2.gz KJLZJXPIQIPKFW-UHFFFAOYSA-N 2 2 391.338 4.291 20 0 GIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000181108213 821638176 /nfs/dbraw/zinc/63/81/76/821638176.db2.gz KJLZJXPIQIPKFW-UHFFFAOYSA-N 2 2 391.338 4.291 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1nc(-c2ccccc2)cs1 ZINC000181414099 821813040 /nfs/dbraw/zinc/81/30/40/821813040.db2.gz GXQFELKUVAGCAM-NDXORKPFSA-N 2 2 385.577 4.229 20 0 GIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc2c(c1)OCCO2 ZINC000181590135 821893253 /nfs/dbraw/zinc/89/32/53/821893253.db2.gz HOVKYBQAHBHSPS-LAUBAEHRSA-N 2 2 381.520 4.119 20 0 GIADLP COCc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccc1OC ZINC000181592014 821894253 /nfs/dbraw/zinc/89/42/53/821894253.db2.gz RBRPWFMCMYLEBH-MSOLQXFVSA-N 2 2 383.536 4.113 20 0 GIADLP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806874 822415257 /nfs/dbraw/zinc/41/52/57/822415257.db2.gz IVFOWSXMCASAQA-QGZVFWFLSA-N 2 2 377.960 4.255 20 0 GIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1nc2ccc(Cl)cc2n1C ZINC000180005672 822594359 /nfs/dbraw/zinc/59/43/59/822594359.db2.gz VMWCXHCRJHKGNS-INIZCTEOSA-N 2 2 393.922 4.365 20 0 GIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180011466 822596149 /nfs/dbraw/zinc/59/61/49/822596149.db2.gz LKZCROZXJGRWIF-OAHLLOKOSA-N 2 2 379.895 4.322 20 0 GIADLP COc1ccc([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c2ccccc2)cc1 ZINC000180176670 822632780 /nfs/dbraw/zinc/63/27/80/822632780.db2.gz ACQDZIKORRJINB-XMMPIXPASA-N 2 2 384.483 4.464 20 0 GIADLP OC1CC[NH+](CCC[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000180212600 822640487 /nfs/dbraw/zinc/64/04/87/822640487.db2.gz LMUABZFOFCUSTM-OAQYLSRUSA-N 2 2 376.903 4.005 20 0 GIADLP Cn1cc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337104 822665814 /nfs/dbraw/zinc/66/58/14/822665814.db2.gz UQUJPOOZYPENKE-JTSKRJEESA-N 2 2 398.551 4.212 20 0 GIADLP Cn1cc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337104 822665816 /nfs/dbraw/zinc/66/58/16/822665816.db2.gz UQUJPOOZYPENKE-JTSKRJEESA-N 2 2 398.551 4.212 20 0 GIADLP Cn1cc([C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337124 822665861 /nfs/dbraw/zinc/66/58/61/822665861.db2.gz UQUJPOOZYPENKE-VGOFRKELSA-N 2 2 398.551 4.212 20 0 GIADLP Cn1cc([C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337124 822665863 /nfs/dbraw/zinc/66/58/63/822665863.db2.gz UQUJPOOZYPENKE-VGOFRKELSA-N 2 2 398.551 4.212 20 0 GIADLP Cc1cccn2c(CNc3ccc(NC(=O)C[NH+]4CCCCCC4)cc3)c[nH+]c12 ZINC000174291963 822764365 /nfs/dbraw/zinc/76/43/65/822764365.db2.gz BCZKMEZSPOIWTM-UHFFFAOYSA-N 2 2 391.519 4.069 20 0 GIADLP C[C@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709142 822812638 /nfs/dbraw/zinc/81/26/38/822812638.db2.gz MVRFSJAEXJSTSS-KBPBESRZSA-N 2 2 381.351 4.384 20 0 GIADLP C[C@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709142 822812639 /nfs/dbraw/zinc/81/26/39/822812639.db2.gz MVRFSJAEXJSTSS-KBPBESRZSA-N 2 2 381.351 4.384 20 0 GIADLP Cc1ccccc1-n1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)nn1 ZINC000570003123 822995295 /nfs/dbraw/zinc/99/52/95/822995295.db2.gz MUROJDLNEPJVFF-LJQANCHMSA-N 2 2 389.547 4.097 20 0 GIADLP Cc1ccccc1-n1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)nn1 ZINC000570003123 822995299 /nfs/dbraw/zinc/99/52/99/822995299.db2.gz MUROJDLNEPJVFF-LJQANCHMSA-N 2 2 389.547 4.097 20 0 GIADLP COc1ccc(C[C@H](C)C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1F ZINC000187093649 823009923 /nfs/dbraw/zinc/00/99/23/823009923.db2.gz DNMBFPLCXPZRCG-SFHVURJKSA-N 2 2 381.495 4.090 20 0 GIADLP Clc1ccc(C2(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCOCC2)cc1 ZINC000123804725 823542151 /nfs/dbraw/zinc/54/21/51/823542151.db2.gz CZVWSGMYTKWTNU-UHFFFAOYSA-N 2 2 381.907 4.364 20 0 GIADLP O=C(CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1ccc(Cl)cc1F ZINC000411500520 823581880 /nfs/dbraw/zinc/58/18/80/823581880.db2.gz GAVNZOLUGYIMOO-UHFFFAOYSA-N 2 2 392.906 4.197 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cn(-c2ccccc2)nn1 ZINC000411532167 823585315 /nfs/dbraw/zinc/58/53/15/823585315.db2.gz KRDKKXNXUAKVMQ-LJQANCHMSA-N 2 2 375.520 4.104 20 0 GIADLP Cc1ccc2oc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000124676481 823616229 /nfs/dbraw/zinc/61/62/29/823616229.db2.gz WBNGSCSDWOPQKB-NHCUHLMSSA-N 2 2 397.563 4.150 20 0 GIADLP Cc1ccc2oc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000124676481 823616235 /nfs/dbraw/zinc/61/62/35/823616235.db2.gz WBNGSCSDWOPQKB-NHCUHLMSSA-N 2 2 397.563 4.150 20 0 GIADLP CCCCn1c(SC[C@@H]2CCCC[N@@H+]2C(C)C)nnc1[C@@H](CC)[NH+](C)C ZINC000412979826 823696570 /nfs/dbraw/zinc/69/65/70/823696570.db2.gz DCFUZHJYTNHQBM-ZWKOTPCHSA-N 2 2 381.634 4.446 20 0 GIADLP CCCCn1c(SC[C@@H]2CCCC[N@H+]2C(C)C)nnc1[C@@H](CC)[NH+](C)C ZINC000412979826 823696571 /nfs/dbraw/zinc/69/65/71/823696571.db2.gz DCFUZHJYTNHQBM-ZWKOTPCHSA-N 2 2 381.634 4.446 20 0 GIADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCO[C@H]3CCCCO3)C2)cc1 ZINC000574416337 823723655 /nfs/dbraw/zinc/72/36/55/823723655.db2.gz QMOXPPOANYQQKD-GVAUOCQISA-N 2 2 394.559 4.178 20 0 GIADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCO[C@H]3CCCCO3)C2)cc1 ZINC000574416337 823723662 /nfs/dbraw/zinc/72/36/62/823723662.db2.gz QMOXPPOANYQQKD-GVAUOCQISA-N 2 2 394.559 4.178 20 0 GIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163946453 823764439 /nfs/dbraw/zinc/76/44/39/823764439.db2.gz PZMYGKYKHGDSOQ-OFVILXPXSA-N 3 2 392.591 4.068 20 0 GIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163946453 823764444 /nfs/dbraw/zinc/76/44/44/823764444.db2.gz PZMYGKYKHGDSOQ-OFVILXPXSA-N 3 2 392.591 4.068 20 0 GIADLP C[N@H+]1CC=C(C[NH2+][C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000574762533 823820424 /nfs/dbraw/zinc/82/04/24/823820424.db2.gz WEMRDSOXSISZOY-GOSISDBHSA-N 2 2 379.273 4.122 20 0 GIADLP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000574762533 823820429 /nfs/dbraw/zinc/82/04/29/823820429.db2.gz WEMRDSOXSISZOY-GOSISDBHSA-N 2 2 379.273 4.122 20 0 GIADLP Cc1[nH+]c2ccc(Br)cc2c(N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000462121540 823835481 /nfs/dbraw/zinc/83/54/81/823835481.db2.gz ZCNSTRFJDYGOEP-UHFFFAOYSA-N 2 2 397.320 4.336 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(Br)s2)cn1 ZINC000126337543 823842827 /nfs/dbraw/zinc/84/28/27/823842827.db2.gz YOBYSHFZDALWMS-LLVKDONJSA-N 2 2 377.311 4.251 20 0 GIADLP CSc1nnc(CCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1CC(C)C ZINC000165695750 823859412 /nfs/dbraw/zinc/85/94/12/823859412.db2.gz UGBGXPOYPRMNTH-KRWDZBQOSA-N 2 2 398.580 4.125 20 0 GIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c[nH+]1 ZINC000166485092 823878567 /nfs/dbraw/zinc/87/85/67/823878567.db2.gz IUSWJLFPNFSNGM-BJKOFHAPSA-N 3 2 386.543 4.315 20 0 GIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c[nH+]1 ZINC000166485092 823878571 /nfs/dbraw/zinc/87/85/71/823878571.db2.gz IUSWJLFPNFSNGM-BJKOFHAPSA-N 3 2 386.543 4.315 20 0 GIADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000167848606 823897020 /nfs/dbraw/zinc/89/70/20/823897020.db2.gz OIFHDCVDWVFHIA-HZPDHXFCSA-N 2 2 388.943 4.171 20 0 GIADLP c1csc(C[N@H+]2CCC[C@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000126770547 823947050 /nfs/dbraw/zinc/94/70/50/823947050.db2.gz DAISKHDTAHCFGT-LJQANCHMSA-N 3 2 375.626 4.347 20 0 GIADLP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000126770547 823947061 /nfs/dbraw/zinc/94/70/61/823947061.db2.gz DAISKHDTAHCFGT-LJQANCHMSA-N 3 2 375.626 4.347 20 0 GIADLP [NH3+]C1(C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CCC1 ZINC000414886396 824045414 /nfs/dbraw/zinc/04/54/14/824045414.db2.gz XZQAMPGFMDAKMD-UHFFFAOYSA-N 2 2 378.303 4.217 20 0 GIADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000192623459 824048341 /nfs/dbraw/zinc/04/83/41/824048341.db2.gz SOVNTFRXXHFMOC-QGZVFWFLSA-N 2 2 384.395 4.028 20 0 GIADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000192623459 824048344 /nfs/dbraw/zinc/04/83/44/824048344.db2.gz SOVNTFRXXHFMOC-QGZVFWFLSA-N 2 2 384.395 4.028 20 0 GIADLP C[C@@H]([NH2+]C1(C[NH2+]CCCc2ccc3c(c2)CCO3)CCOCC1)c1ccccc1 ZINC000192629790 824050312 /nfs/dbraw/zinc/05/03/12/824050312.db2.gz XCZFKTDBNGFOJP-HXUWFJFHSA-N 2 2 394.559 4.044 20 0 GIADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)c(C)c1 ZINC000414941217 824052828 /nfs/dbraw/zinc/05/28/28/824052828.db2.gz LBSWTKZCOSSBOC-WZONZLPQSA-N 2 2 375.516 4.463 20 0 GIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2nc3ccccc3o2)[C@@H]1c1cnn(C)c1 ZINC000328628428 212087946 /nfs/dbraw/zinc/08/79/46/212087946.db2.gz HFTGTBWYYQMLRB-XGHQBKJUSA-N 2 2 381.524 4.027 20 0 GIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2nc3ccccc3o2)[C@@H]1c1cnn(C)c1 ZINC000328628428 212087949 /nfs/dbraw/zinc/08/79/49/212087949.db2.gz HFTGTBWYYQMLRB-XGHQBKJUSA-N 2 2 381.524 4.027 20 0 GIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](C)c2nc3ccccc3o2)[C@@H]1c1cnn(C)c1 ZINC000328628428 212087951 /nfs/dbraw/zinc/08/79/51/212087951.db2.gz HFTGTBWYYQMLRB-XGHQBKJUSA-N 2 2 381.524 4.027 20 0 GIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2nc3ccccc3o2)[C@@H]1c1cnn(C)c1 ZINC000328628428 212087955 /nfs/dbraw/zinc/08/79/55/212087955.db2.gz HFTGTBWYYQMLRB-XGHQBKJUSA-N 2 2 381.524 4.027 20 0 GIADLP Cc1cc(Cl)c(C)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)[nH+]1 ZINC001164696161 719893709 /nfs/dbraw/zinc/89/37/09/719893709.db2.gz AAJMJLIXSNTEFR-UHFFFAOYSA-N 2 2 391.968 4.285 20 0 GIADLP Cc1cc(Cl)c(C)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH+]1 ZINC001164696161 719893710 /nfs/dbraw/zinc/89/37/10/719893710.db2.gz AAJMJLIXSNTEFR-UHFFFAOYSA-N 2 2 391.968 4.285 20 0 GIADLP CCSc1cc[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164842314 720724532 /nfs/dbraw/zinc/72/45/32/720724532.db2.gz YDYAZSFLVGYTMC-FQEVSTJZSA-N 2 2 397.588 4.454 20 0 GIADLP CCSc1cc[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164842314 720724542 /nfs/dbraw/zinc/72/45/42/720724542.db2.gz YDYAZSFLVGYTMC-FQEVSTJZSA-N 2 2 397.588 4.454 20 0 GIADLP COc1cc2cc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2cc1F ZINC001164861041 721018196 /nfs/dbraw/zinc/01/81/96/721018196.db2.gz NDBZEJWURPSLKQ-HNNXBMFYSA-N 2 2 397.498 4.000 20 0 GIADLP COc1cc2cc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2cc1F ZINC001164861041 721018204 /nfs/dbraw/zinc/01/82/04/721018204.db2.gz NDBZEJWURPSLKQ-HNNXBMFYSA-N 2 2 397.498 4.000 20 0 GIADLP Cc1ccc2c(C)cc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)[nH+]c2c1C ZINC001164788113 721428603 /nfs/dbraw/zinc/42/86/03/721428603.db2.gz RXTRLEDCVDULNY-HDICACEKSA-N 2 2 378.545 4.185 20 0 GIADLP Cc1ccc2c(C)cc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)[nH+]c2c1C ZINC001164788113 721428605 /nfs/dbraw/zinc/42/86/05/721428605.db2.gz RXTRLEDCVDULNY-HDICACEKSA-N 2 2 378.545 4.185 20 0 GIADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c([nH+]1)CCCC3)C2 ZINC001164908922 721752819 /nfs/dbraw/zinc/75/28/19/721752819.db2.gz OLNHKMDSWZDYTM-UHFFFAOYSA-N 2 2 388.515 4.143 20 0 GIADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c([nH+]1)CCCC3)C2 ZINC001164908922 721752821 /nfs/dbraw/zinc/75/28/21/721752821.db2.gz OLNHKMDSWZDYTM-UHFFFAOYSA-N 2 2 388.515 4.143 20 0 GIADLP CSCc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027007 721828761 /nfs/dbraw/zinc/82/87/61/721828761.db2.gz QSTZRGFWYFCULN-CEWLAPEOSA-N 2 2 382.577 4.077 20 0 GIADLP CSCc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027007 721828763 /nfs/dbraw/zinc/82/87/63/721828763.db2.gz QSTZRGFWYFCULN-CEWLAPEOSA-N 2 2 382.577 4.077 20 0 GIADLP OC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1F ZINC000570514912 823048419 /nfs/dbraw/zinc/04/84/19/823048419.db2.gz XTWWEIIPHVXUKF-YLJYHZDGSA-N 2 2 388.914 4.299 20 0 GIADLP OC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1F ZINC000570514912 823048424 /nfs/dbraw/zinc/04/84/24/823048424.db2.gz XTWWEIIPHVXUKF-YLJYHZDGSA-N 2 2 388.914 4.299 20 0 GIADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000571055863 823125798 /nfs/dbraw/zinc/12/57/98/823125798.db2.gz VUUJCLOJTNHEEO-IYHXRUFHSA-N 2 2 398.378 4.118 20 0 GIADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000571055863 823125803 /nfs/dbraw/zinc/12/58/03/823125803.db2.gz VUUJCLOJTNHEEO-IYHXRUFHSA-N 2 2 398.378 4.118 20 0 GIADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)nc1)CCCS2 ZINC000187803817 823137025 /nfs/dbraw/zinc/13/70/25/823137025.db2.gz VQGXDZYSERNHIB-IBGZPJMESA-N 2 2 380.517 4.301 20 0 GIADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000571222614 823151301 /nfs/dbraw/zinc/15/13/01/823151301.db2.gz UFIBYCAFJXSAIT-SFHVURJKSA-N 2 2 395.334 4.153 20 0 GIADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000571222614 823151303 /nfs/dbraw/zinc/15/13/03/823151303.db2.gz UFIBYCAFJXSAIT-SFHVURJKSA-N 2 2 395.334 4.153 20 0 GIADLP O=C1Nc2ccccc2C12CCC([NH2+]C1CC[NH+](Cc3ccsc3)CC1)CC2 ZINC000121326605 823163890 /nfs/dbraw/zinc/16/38/90/823163890.db2.gz MIKUHERWKBJXJC-UHFFFAOYSA-N 2 2 395.572 4.135 20 0 GIADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341417 823165540 /nfs/dbraw/zinc/16/55/40/823165540.db2.gz WFDAXRYMRIACQZ-VHTFYLNKSA-N 2 2 394.559 4.056 20 0 GIADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341417 823165542 /nfs/dbraw/zinc/16/55/42/823165542.db2.gz WFDAXRYMRIACQZ-VHTFYLNKSA-N 2 2 394.559 4.056 20 0 GIADLP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000121363640 823170880 /nfs/dbraw/zinc/17/08/80/823170880.db2.gz ALRDGLALXNQCMM-MRXNPFEDSA-N 2 2 375.463 4.263 20 0 GIADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000459400031 823183962 /nfs/dbraw/zinc/18/39/62/823183962.db2.gz WANPSIVOGOSUNZ-UHFFFAOYSA-N 2 2 381.480 4.196 20 0 GIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000571466599 823187107 /nfs/dbraw/zinc/18/71/07/823187107.db2.gz BUINKQLJNWEWIH-HJOGWXRNSA-N 2 2 387.527 4.015 20 0 GIADLP C[N@H+]1CC[C@H]([NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000571466599 823187110 /nfs/dbraw/zinc/18/71/10/823187110.db2.gz BUINKQLJNWEWIH-HJOGWXRNSA-N 2 2 387.527 4.015 20 0 GIADLP c1c(C[NH2+]CCCCNc2cccc[nH+]2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459412935 823187433 /nfs/dbraw/zinc/18/74/33/823187433.db2.gz WQCUUHFUHCRWAH-UHFFFAOYSA-N 2 2 390.535 4.437 20 0 GIADLP Cc1cc(F)c(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000459425752 823189882 /nfs/dbraw/zinc/18/98/82/823189882.db2.gz LZBGCGFBIZUYSR-UHFFFAOYSA-N 2 2 376.903 4.034 20 0 GIADLP c1c(C[NH2+]CCCNc2cccc[nH+]2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459459804 823196471 /nfs/dbraw/zinc/19/64/71/823196471.db2.gz IAFWAKCLTQXUDK-UHFFFAOYSA-N 2 2 376.508 4.047 20 0 GIADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000121808086 823255272 /nfs/dbraw/zinc/25/52/72/823255272.db2.gz GQJQETVWYNWJDQ-DEOSSOPVSA-N 2 2 385.596 4.058 20 0 GIADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000121808086 823255275 /nfs/dbraw/zinc/25/52/75/823255275.db2.gz GQJQETVWYNWJDQ-DEOSSOPVSA-N 2 2 385.596 4.058 20 0 GIADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(-n2cncn2)cc1Cl ZINC000572209237 823300795 /nfs/dbraw/zinc/30/07/95/823300795.db2.gz SAYWJGOVYRGCKM-MRXNPFEDSA-N 2 2 392.894 4.016 20 0 GIADLP CC[N@@H+](Cc1nc(-c2ccccc2F)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189056971 823349788 /nfs/dbraw/zinc/34/97/88/823349788.db2.gz MOVMARICOPEPOD-UHFFFAOYSA-N 2 2 395.482 4.009 20 0 GIADLP CC[N@H+](Cc1nc(-c2ccccc2F)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189056971 823349792 /nfs/dbraw/zinc/34/97/92/823349792.db2.gz MOVMARICOPEPOD-UHFFFAOYSA-N 2 2 395.482 4.009 20 0 GIADLP CCC[C@@H](CC1CCCC1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460492829 823407041 /nfs/dbraw/zinc/40/70/41/823407041.db2.gz QIEDSSXMVKCXIQ-NRFANRHFSA-N 2 2 377.617 4.050 20 0 GIADLP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410256967 823436341 /nfs/dbraw/zinc/43/63/41/823436341.db2.gz PWWINTJJMQYMIJ-UNMCSNQZSA-N 2 2 394.563 4.009 20 0 GIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000177335355 823438076 /nfs/dbraw/zinc/43/80/76/823438076.db2.gz KMZNAXNSDDOIQL-QGZVFWFLSA-N 2 2 375.557 4.105 20 0 GIADLP c1cn(Cc2ccccc2C[NH2+]Cc2cccc(OCc3ccccn3)c2)c[nH+]1 ZINC000030651515 820658494 /nfs/dbraw/zinc/65/84/94/820658494.db2.gz XSYGZESMVGYRJQ-UHFFFAOYSA-N 2 2 384.483 4.195 20 0 GIADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)C[C@H](C)O1 ZINC000060368409 823520452 /nfs/dbraw/zinc/52/04/52/823520452.db2.gz CEDGNBIAFPVZLS-IRXDYDNUSA-N 2 2 377.598 4.122 20 0 GIADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000042229149 821288849 /nfs/dbraw/zinc/28/88/49/821288849.db2.gz BQNAWUGYHCVBMV-OAHLLOKOSA-N 2 2 393.362 4.121 20 0 GIADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000042229149 821288857 /nfs/dbraw/zinc/28/88/57/821288857.db2.gz BQNAWUGYHCVBMV-OAHLLOKOSA-N 2 2 393.362 4.121 20 0 GIADLP C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181070904 821618296 /nfs/dbraw/zinc/61/82/96/821618296.db2.gz FZOXEKZCEWWQRU-GFCCVEGCSA-N 2 2 380.279 4.323 20 0 GIADLP C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181070904 821618305 /nfs/dbraw/zinc/61/83/05/821618305.db2.gz FZOXEKZCEWWQRU-GFCCVEGCSA-N 2 2 380.279 4.323 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)on1 ZINC000181119360 821645085 /nfs/dbraw/zinc/64/50/85/821645085.db2.gz HAGJFTGOSQCXGV-QGZVFWFLSA-N 2 2 379.504 4.277 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)on1 ZINC000181119360 821645090 /nfs/dbraw/zinc/64/50/90/821645090.db2.gz HAGJFTGOSQCXGV-QGZVFWFLSA-N 2 2 379.504 4.277 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)on1 ZINC000181119360 821645093 /nfs/dbraw/zinc/64/50/93/821645093.db2.gz HAGJFTGOSQCXGV-QGZVFWFLSA-N 2 2 379.504 4.277 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)on1 ZINC000181119360 821645098 /nfs/dbraw/zinc/64/50/98/821645098.db2.gz HAGJFTGOSQCXGV-QGZVFWFLSA-N 2 2 379.504 4.277 20 0 GIADLP COc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)oc21 ZINC000181530754 821868515 /nfs/dbraw/zinc/86/85/15/821868515.db2.gz LYSUYVIKYYWXDQ-QGZVFWFLSA-N 2 2 380.488 4.124 20 0 GIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000181586920 821891416 /nfs/dbraw/zinc/89/14/16/821891416.db2.gz IPKPWQWHCKDMHP-QZTJIDSGSA-N 2 2 381.520 4.119 20 0 GIADLP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000181756065 821978510 /nfs/dbraw/zinc/97/85/10/821978510.db2.gz PJVSCUKUSJGMEC-UWJYYQICSA-N 2 2 387.955 4.176 20 0 GIADLP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000181756065 821978519 /nfs/dbraw/zinc/97/85/19/821978519.db2.gz PJVSCUKUSJGMEC-UWJYYQICSA-N 2 2 387.955 4.176 20 0 GIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1NC(C)=O ZINC000177969531 822262839 /nfs/dbraw/zinc/26/28/39/822262839.db2.gz TZPPANJHJIBXMF-GOSISDBHSA-N 2 2 395.547 4.011 20 0 GIADLP C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177976864 822266182 /nfs/dbraw/zinc/26/61/82/822266182.db2.gz ISOCVWBHPPIDCI-ZWKOTPCHSA-N 2 2 384.524 4.170 20 0 GIADLP CC[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1cccc(Cl)c1 ZINC000182585364 822312754 /nfs/dbraw/zinc/31/27/54/822312754.db2.gz LHEGIUHSBHDLAD-KRWDZBQOSA-N 2 2 392.956 4.072 20 0 GIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2sc(C)cc2Br)[C@@H](C)C1 ZINC000453592373 822390210 /nfs/dbraw/zinc/39/02/10/822390210.db2.gz RCXIXUNJVHOZKS-XJKSGUPXSA-N 2 2 389.403 4.046 20 0 GIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2sc(C)cc2Br)[C@@H](C)C1 ZINC000453592373 822390213 /nfs/dbraw/zinc/39/02/13/822390213.db2.gz RCXIXUNJVHOZKS-XJKSGUPXSA-N 2 2 389.403 4.046 20 0 GIADLP COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)n2)cc1 ZINC000178712090 822404921 /nfs/dbraw/zinc/40/49/21/822404921.db2.gz KQKAOUPEKDADME-KRWDZBQOSA-N 2 2 387.487 4.226 20 0 GIADLP C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183076638 822421389 /nfs/dbraw/zinc/42/13/89/822421389.db2.gz QFXHFJLYLLKUEP-LJQANCHMSA-N 2 2 390.531 4.250 20 0 GIADLP Cc1ccc(OCc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cs2)cc1 ZINC000047972941 822623424 /nfs/dbraw/zinc/62/34/24/822623424.db2.gz FEVXYBDSCSKLNR-UHFFFAOYSA-N 2 2 385.577 4.338 20 0 GIADLP Cn1cc([C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337088 822665826 /nfs/dbraw/zinc/66/58/26/822665826.db2.gz UQUJPOOZYPENKE-HTAPYJJXSA-N 2 2 398.551 4.212 20 0 GIADLP Cn1cc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337088 822665827 /nfs/dbraw/zinc/66/58/27/822665827.db2.gz UQUJPOOZYPENKE-HTAPYJJXSA-N 2 2 398.551 4.212 20 0 GIADLP CCOc1ccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)co2)cc1 ZINC000185768132 822819358 /nfs/dbraw/zinc/81/93/58/822819358.db2.gz SAOZRQZTVLBGEO-HKUYNNGSSA-N 2 2 383.536 4.483 20 0 GIADLP CCOc1ccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)co2)cc1 ZINC000185768132 822819359 /nfs/dbraw/zinc/81/93/59/822819359.db2.gz SAOZRQZTVLBGEO-HKUYNNGSSA-N 2 2 383.536 4.483 20 0 GIADLP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000568972734 822866709 /nfs/dbraw/zinc/86/67/09/822866709.db2.gz RMGIWOXDXGMNSG-INIZCTEOSA-N 2 2 389.503 4.228 20 0 GIADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(N4CCCCC4)nc3)CC2)cc1 ZINC000569404150 822917619 /nfs/dbraw/zinc/91/76/19/822917619.db2.gz FWWDFQRGAMHQRJ-UHFFFAOYSA-N 2 2 396.554 4.008 20 0 GIADLP Cn1cc([C@@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c2ccccc2)cn1 ZINC000569891933 822981581 /nfs/dbraw/zinc/98/15/81/822981581.db2.gz HCZQSINOGNWJEI-DHLKQENFSA-N 2 2 388.559 4.401 20 0 GIADLP Cn1cc([C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cn1 ZINC000569891933 822981583 /nfs/dbraw/zinc/98/15/83/822981583.db2.gz HCZQSINOGNWJEI-DHLKQENFSA-N 2 2 388.559 4.401 20 0 GIADLP Cc1cn2cc(NC(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000570439320 823038502 /nfs/dbraw/zinc/03/85/02/823038502.db2.gz UVEJCPKHVFTYCP-HXUWFJFHSA-N 2 2 391.519 4.067 20 0 GIADLP Cc1cn2cc(NC(=O)NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000570439320 823038508 /nfs/dbraw/zinc/03/85/08/823038508.db2.gz UVEJCPKHVFTYCP-HXUWFJFHSA-N 2 2 391.519 4.067 20 0 GIADLP Fc1cc(Br)ccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000060815061 823559346 /nfs/dbraw/zinc/55/93/46/823559346.db2.gz SYGKUEUGINXYDR-UHFFFAOYSA-N 2 2 377.301 4.342 20 0 GIADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1nnc(-c3ccc(Cl)cc3Cl)o1)C2 ZINC000124033939 823561431 /nfs/dbraw/zinc/56/14/31/823561431.db2.gz YAKFSZRRIDUZOP-WCQYABFASA-N 2 2 392.290 4.214 20 0 GIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(Br)c1 ZINC000124347625 823589133 /nfs/dbraw/zinc/58/91/33/823589133.db2.gz XEAOVEKPWYTNFV-CYBMUJFWSA-N 2 2 378.289 4.303 20 0 GIADLP C[C@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125646511 823693123 /nfs/dbraw/zinc/69/31/23/823693123.db2.gz PWJFFNZOTQJPDA-IFXJQAMLSA-N 2 2 391.393 4.155 20 0 GIADLP C[N@H+](Cc1ccccc1Oc1ccc(F)cc1Cl)C1CC[NH+](CCO)CC1 ZINC000461821938 823702837 /nfs/dbraw/zinc/70/28/37/823702837.db2.gz ZHSWHOIPUFHCIP-UHFFFAOYSA-N 2 2 392.902 4.160 20 0 GIADLP C[N@@H+](Cc1ccccc1Oc1ccc(F)cc1Cl)C1CC[NH+](CCO)CC1 ZINC000461821938 823702844 /nfs/dbraw/zinc/70/28/44/823702844.db2.gz ZHSWHOIPUFHCIP-UHFFFAOYSA-N 2 2 392.902 4.160 20 0 GIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000163914865 823760305 /nfs/dbraw/zinc/76/03/05/823760305.db2.gz XZIOBNBDRLYAAV-AZUAARDMSA-N 2 2 383.536 4.483 20 0 GIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000163914865 823760308 /nfs/dbraw/zinc/76/03/08/823760308.db2.gz XZIOBNBDRLYAAV-AZUAARDMSA-N 2 2 383.536 4.483 20 0 GIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000163916054 823760390 /nfs/dbraw/zinc/76/03/90/823760390.db2.gz SSHGKEJJEUSLKV-CMKODMSKSA-N 2 2 383.536 4.481 20 0 GIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000163916054 823760399 /nfs/dbraw/zinc/76/03/99/823760399.db2.gz SSHGKEJJEUSLKV-CMKODMSKSA-N 2 2 383.536 4.481 20 0 GIADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3ncc[nH]3)C3CCCCC3)c2)CCO1 ZINC000574591415 823773888 /nfs/dbraw/zinc/77/38/88/823773888.db2.gz TXSBZTWRALDCER-XMSQKQJNSA-N 2 2 382.552 4.042 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ncc[nH]3)C3CCCCC3)c2)CCO1 ZINC000574591415 823773895 /nfs/dbraw/zinc/77/38/95/823773895.db2.gz TXSBZTWRALDCER-XMSQKQJNSA-N 2 2 382.552 4.042 20 0 GIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000164509016 823806070 /nfs/dbraw/zinc/80/60/70/823806070.db2.gz HBGBSTOIJAEFRW-UHFFFAOYSA-N 3 2 390.531 4.065 20 0 GIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000164509016 823806080 /nfs/dbraw/zinc/80/60/80/823806080.db2.gz HBGBSTOIJAEFRW-UHFFFAOYSA-N 3 2 390.531 4.065 20 0 GIADLP C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000164963660 823827211 /nfs/dbraw/zinc/82/72/11/823827211.db2.gz HMHQZGCAAHZEQE-ZJSXRUAMSA-N 3 2 397.632 4.428 20 0 GIADLP C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000164963660 823827220 /nfs/dbraw/zinc/82/72/20/823827220.db2.gz HMHQZGCAAHZEQE-ZJSXRUAMSA-N 3 2 397.632 4.428 20 0 GIADLP CCC[NH+]1CCC([NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000462111934 823831186 /nfs/dbraw/zinc/83/11/86/823831186.db2.gz NFQUAQPDNICFTE-QFIPXVFZSA-N 2 2 380.511 4.381 20 0 GIADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000165555221 823853719 /nfs/dbraw/zinc/85/37/19/823853719.db2.gz YTFPJJJMTYEKBN-CJFMBICVSA-N 3 2 388.559 4.418 20 0 GIADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000165555221 823853730 /nfs/dbraw/zinc/85/37/30/823853730.db2.gz YTFPJJJMTYEKBN-CJFMBICVSA-N 3 2 388.559 4.418 20 0 GIADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000574997666 823882951 /nfs/dbraw/zinc/88/29/51/823882951.db2.gz GVMKVBFAAXGRRC-FQEVSTJZSA-N 2 2 382.552 4.093 20 0 GIADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192178468 823893114 /nfs/dbraw/zinc/89/31/14/823893114.db2.gz IVMCTASIOCCUQY-AWEZNQCLSA-N 2 2 391.441 4.407 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1csc(-c2ccccc2)n1 ZINC000414064000 823899346 /nfs/dbraw/zinc/89/93/46/823899346.db2.gz FFCWPQPKVJISSX-GOSISDBHSA-N 2 2 393.556 4.493 20 0 GIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c(C)c1 ZINC000414156426 823920228 /nfs/dbraw/zinc/92/02/28/823920228.db2.gz WMSDLEVTEREAIP-SFHVURJKSA-N 2 2 395.547 4.277 20 0 GIADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000414260864 823944622 /nfs/dbraw/zinc/94/46/22/823944622.db2.gz NDXPDZPRBBTPOQ-OXJNMPFZSA-N 2 2 388.353 4.153 20 0 GIADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000414260864 823944633 /nfs/dbraw/zinc/94/46/33/823944633.db2.gz NDXPDZPRBBTPOQ-OXJNMPFZSA-N 2 2 388.353 4.153 20 0 GIADLP C[C@@H]([NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@H]1CCC[NH2+]C1 ZINC000414852626 824042148 /nfs/dbraw/zinc/04/21/48/824042148.db2.gz KDNYFAACROHDPV-OCCSQVGLSA-N 2 2 380.355 4.050 20 0 GIADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164838050 720542731 /nfs/dbraw/zinc/54/27/31/720542731.db2.gz NRBRDHILBLFUDO-FUPPJEDESA-N 2 2 389.547 4.118 20 0 GIADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164838050 720542733 /nfs/dbraw/zinc/54/27/33/720542733.db2.gz NRBRDHILBLFUDO-FUPPJEDESA-N 2 2 389.547 4.118 20 0 GIADLP Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]c2c(C)cccc12 ZINC001164859889 720927244 /nfs/dbraw/zinc/92/72/44/720927244.db2.gz QHEZDAOHJNRWQV-SFHVURJKSA-N 2 2 377.536 4.470 20 0 GIADLP Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]c2c(C)cccc12 ZINC001164859889 720927258 /nfs/dbraw/zinc/92/72/58/720927258.db2.gz QHEZDAOHJNRWQV-SFHVURJKSA-N 2 2 377.536 4.470 20 0 GIADLP COc1ccc2[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)cc(C)c2c1 ZINC001164859177 720963250 /nfs/dbraw/zinc/96/32/50/720963250.db2.gz KTPTUQJTVZKUHG-KRWDZBQOSA-N 2 2 393.535 4.170 20 0 GIADLP COc1ccc2[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)cc(C)c2c1 ZINC001164859177 720963255 /nfs/dbraw/zinc/96/32/55/720963255.db2.gz KTPTUQJTVZKUHG-KRWDZBQOSA-N 2 2 393.535 4.170 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001165019920 721825863 /nfs/dbraw/zinc/82/58/63/721825863.db2.gz CNDXLMZVNVOPLL-CEWLAPEOSA-N 2 2 393.579 4.214 20 0 GIADLP Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001165019920 721825865 /nfs/dbraw/zinc/82/58/65/721825865.db2.gz CNDXLMZVNVOPLL-CEWLAPEOSA-N 2 2 393.579 4.214 20 0 GIADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1Br ZINC000120722165 823052345 /nfs/dbraw/zinc/05/23/45/823052345.db2.gz GTRZXKLUGBZEFD-JXFKEZNVSA-N 2 2 388.353 4.153 20 0 GIADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1Br ZINC000120722165 823052352 /nfs/dbraw/zinc/05/23/52/823052352.db2.gz GTRZXKLUGBZEFD-JXFKEZNVSA-N 2 2 388.353 4.153 20 0 GIADLP Cc1noc(C)c1C[NH+](C)Cc1ccccc1C[N@H+](C)Cc1c(C)noc1C ZINC000055902153 823064362 /nfs/dbraw/zinc/06/43/62/823064362.db2.gz KLEQTUKMEZNZRT-UHFFFAOYSA-N 2 2 382.508 4.160 20 0 GIADLP Cc1noc(C)c1C[NH+](C)Cc1ccccc1C[N@@H+](C)Cc1c(C)noc1C ZINC000055902153 823064367 /nfs/dbraw/zinc/06/43/67/823064367.db2.gz KLEQTUKMEZNZRT-UHFFFAOYSA-N 2 2 382.508 4.160 20 0 GIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570704222 823073738 /nfs/dbraw/zinc/07/37/38/823073738.db2.gz NRNXQOSPJTUKSZ-REHUZNOOSA-N 2 2 382.548 4.068 20 0 GIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570704222 823073740 /nfs/dbraw/zinc/07/37/40/823073740.db2.gz NRNXQOSPJTUKSZ-REHUZNOOSA-N 2 2 382.548 4.068 20 0 GIADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)nc1)CCCS2 ZINC000187803797 823136889 /nfs/dbraw/zinc/13/68/89/823136889.db2.gz VQGXDZYSERNHIB-LJQANCHMSA-N 2 2 380.517 4.301 20 0 GIADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341413 823165238 /nfs/dbraw/zinc/16/52/38/823165238.db2.gz WFDAXRYMRIACQZ-DFOOEPSASA-N 2 2 394.559 4.056 20 0 GIADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341413 823165243 /nfs/dbraw/zinc/16/52/43/823165243.db2.gz WFDAXRYMRIACQZ-DFOOEPSASA-N 2 2 394.559 4.056 20 0 GIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1 ZINC000188052116 823178285 /nfs/dbraw/zinc/17/82/85/823178285.db2.gz LUBIKAWYPIFCDT-UHFFFAOYSA-N 2 2 388.899 4.073 20 0 GIADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000409730002 823292511 /nfs/dbraw/zinc/29/25/11/823292511.db2.gz FURKJFCGCWMERA-IUODEOHRSA-N 2 2 378.289 4.057 20 0 GIADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000409730002 823292517 /nfs/dbraw/zinc/29/25/17/823292517.db2.gz FURKJFCGCWMERA-IUODEOHRSA-N 2 2 378.289 4.057 20 0 GIADLP CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000122336309 823339891 /nfs/dbraw/zinc/33/98/91/823339891.db2.gz LTBXOWATRACEJE-JOCHJYFZSA-N 2 2 397.563 4.480 20 0 GIADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000572491957 823348896 /nfs/dbraw/zinc/34/88/96/823348896.db2.gz AFNNUIFOVJUEJB-LEWJYISDSA-N 2 2 375.472 4.144 20 0 GIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000122560039 823372614 /nfs/dbraw/zinc/37/26/14/823372614.db2.gz RYEJODBMYZSNHU-UHFFFAOYSA-N 2 2 387.487 4.474 20 0 GIADLP CC[NH+](CC)Cc1cccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000042724342 821327433 /nfs/dbraw/zinc/32/74/33/821327433.db2.gz YVAYXXVAQJWDRF-UHFFFAOYSA-N 2 2 396.560 4.356 20 0 GIADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181114350 821641555 /nfs/dbraw/zinc/64/15/55/821641555.db2.gz YTFIMVUMTBXUNC-GOSISDBHSA-N 2 2 378.476 4.025 20 0 GIADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181114350 821641559 /nfs/dbraw/zinc/64/15/59/821641559.db2.gz YTFIMVUMTBXUNC-GOSISDBHSA-N 2 2 378.476 4.025 20 0 GIADLP CC[NH+](CC)CCCC1CC[NH+](Cn2nc(N3CCCC3)sc2=S)CC1 ZINC000181459309 821836136 /nfs/dbraw/zinc/83/61/36/821836136.db2.gz GSEQBHFLOQSXQE-UHFFFAOYSA-N 2 2 397.658 4.066 20 0 GIADLP COc1cccc2cc([C@H](C)[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)oc21 ZINC000181530740 821868718 /nfs/dbraw/zinc/86/87/18/821868718.db2.gz LYSUYVIKYYWXDQ-KRWDZBQOSA-N 2 2 380.488 4.124 20 0 GIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000181590076 821893136 /nfs/dbraw/zinc/89/31/36/821893136.db2.gz LNRYBTSRDFAMPK-MOPGFXCFSA-N 2 2 392.547 4.085 20 0 GIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc2c(c1)OCCO2 ZINC000181590174 821893530 /nfs/dbraw/zinc/89/35/30/821893530.db2.gz HOVKYBQAHBHSPS-DYESRHJHSA-N 2 2 381.520 4.119 20 0 GIADLP CC(C)(C)c1ccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181762742 821981216 /nfs/dbraw/zinc/98/12/16/821981216.db2.gz CCFWXMRQWMQUOV-XMMPIXPASA-N 2 2 391.559 4.143 20 0 GIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000182197590 822142503 /nfs/dbraw/zinc/14/25/03/822142503.db2.gz HLUUVCCNZZLPFG-HNNXBMFYSA-N 2 2 391.918 4.177 20 0 GIADLP CCN(CC)C(=O)[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccccc1 ZINC000178131474 822328005 /nfs/dbraw/zinc/32/80/05/822328005.db2.gz BQGFENKYNXCFSR-WZONZLPQSA-N 2 2 390.531 4.441 20 0 GIADLP Clc1ccccc1CN1CCC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000045321513 822378697 /nfs/dbraw/zinc/37/86/97/822378697.db2.gz UOQBZYWSCNTHGS-UHFFFAOYSA-N 2 2 380.923 4.280 20 0 GIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cn(-c3ccc(Cl)cc3)nn2)cc1 ZINC000183138620 822429561 /nfs/dbraw/zinc/42/95/61/822429561.db2.gz MPYRURRODOLVCO-HNNXBMFYSA-N 2 2 392.894 4.266 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ncc(Br)s1 ZINC000179198394 822449684 /nfs/dbraw/zinc/44/96/84/822449684.db2.gz CJBSZXBHNNYGKT-ZDUSSCGKSA-N 2 2 380.355 4.352 20 0 GIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000179554175 822502597 /nfs/dbraw/zinc/50/25/97/822502597.db2.gz ZYOGFHYFJCWSTP-KKSFZXQISA-N 2 2 387.930 4.406 20 0 GIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000179554175 822502598 /nfs/dbraw/zinc/50/25/98/822502598.db2.gz ZYOGFHYFJCWSTP-KKSFZXQISA-N 2 2 387.930 4.406 20 0 GIADLP Cc1cc(C)c(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)[nH+]1 ZINC000455513573 822669004 /nfs/dbraw/zinc/66/90/04/822669004.db2.gz JAKSVWOMEVZVGC-HSZRJFAPSA-N 2 2 378.520 4.137 20 0 GIADLP Cc1cc(C)c(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)[nH+]1 ZINC000455513573 822669007 /nfs/dbraw/zinc/66/90/07/822669007.db2.gz JAKSVWOMEVZVGC-HSZRJFAPSA-N 2 2 378.520 4.137 20 0 GIADLP CC[N@@H+](Cc1cn(C)nc1-c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180368041 822671207 /nfs/dbraw/zinc/67/12/07/822671207.db2.gz CUOAIFRVXMORDT-UHFFFAOYSA-N 2 2 389.547 4.221 20 0 GIADLP CC[N@H+](Cc1cn(C)nc1-c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180368041 822671210 /nfs/dbraw/zinc/67/12/10/822671210.db2.gz CUOAIFRVXMORDT-UHFFFAOYSA-N 2 2 389.547 4.221 20 0 GIADLP CCCOc1ccc(Oc2ncccc2C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC000185141191 822742070 /nfs/dbraw/zinc/74/20/70/822742070.db2.gz CUOJBIFPXJFMFT-UHFFFAOYSA-N 2 2 392.503 4.414 20 0 GIADLP C[C@@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730365 822815571 /nfs/dbraw/zinc/81/55/71/822815571.db2.gz MPHPEQOEGVBOMZ-HUUCEWRRSA-N 2 2 375.463 4.362 20 0 GIADLP C[C@@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730365 822815573 /nfs/dbraw/zinc/81/55/73/822815573.db2.gz MPHPEQOEGVBOMZ-HUUCEWRRSA-N 2 2 375.463 4.362 20 0 GIADLP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000568972735 822866824 /nfs/dbraw/zinc/86/68/24/822866824.db2.gz RMGIWOXDXGMNSG-MRXNPFEDSA-N 2 2 389.503 4.228 20 0 GIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000186371650 822883733 /nfs/dbraw/zinc/88/37/33/822883733.db2.gz WSAKPLMKUNGYDA-URXFXBBRSA-N 2 2 393.575 4.269 20 0 GIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000186371650 822883736 /nfs/dbraw/zinc/88/37/36/822883736.db2.gz WSAKPLMKUNGYDA-URXFXBBRSA-N 2 2 393.575 4.269 20 0 GIADLP CCCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000569255099 822897378 /nfs/dbraw/zinc/89/73/78/822897378.db2.gz UNIDYKQUIPMGTB-RHSMWYFYSA-N 2 2 399.373 4.019 20 0 GIADLP CCCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000569255099 822897382 /nfs/dbraw/zinc/89/73/82/822897382.db2.gz UNIDYKQUIPMGTB-RHSMWYFYSA-N 2 2 399.373 4.019 20 0 GIADLP CCCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000569255099 822897384 /nfs/dbraw/zinc/89/73/84/822897384.db2.gz UNIDYKQUIPMGTB-RHSMWYFYSA-N 2 2 399.373 4.019 20 0 GIADLP CCCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000569255099 822897389 /nfs/dbraw/zinc/89/73/89/822897389.db2.gz UNIDYKQUIPMGTB-RHSMWYFYSA-N 2 2 399.373 4.019 20 0 GIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000187010691 822996930 /nfs/dbraw/zinc/99/69/30/822996930.db2.gz AYXKQJMHPMYESO-OXQOHEQNSA-N 2 2 391.943 4.222 20 0 GIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000187010691 822996931 /nfs/dbraw/zinc/99/69/31/822996931.db2.gz AYXKQJMHPMYESO-OXQOHEQNSA-N 2 2 391.943 4.222 20 0 GIADLP Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1O ZINC000187055225 823004526 /nfs/dbraw/zinc/00/45/26/823004526.db2.gz BIYWZFGUCMMVIL-CQSZACIVSA-N 2 2 386.293 4.500 20 0 GIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000570423297 823036202 /nfs/dbraw/zinc/03/62/02/823036202.db2.gz UVRQWRYEHHOGGR-NRFANRHFSA-N 2 2 384.495 4.083 20 0 GIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000570423297 823036207 /nfs/dbraw/zinc/03/62/07/823036207.db2.gz UVRQWRYEHHOGGR-NRFANRHFSA-N 2 2 384.495 4.083 20 0 GIADLP Cc1ccccc1-n1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)nn1 ZINC000570428455 823036768 /nfs/dbraw/zinc/03/67/68/823036768.db2.gz WXMXKLBXSNWGPC-UHFFFAOYSA-N 2 2 389.547 4.242 20 0 GIADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)ccc1OC(F)F ZINC000177933695 823547881 /nfs/dbraw/zinc/54/78/81/823547881.db2.gz VYCRCZRYLLOHPF-OAHLLOKOSA-N 2 2 387.430 4.392 20 0 GIADLP Cc1c2ccccc2oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124548355 823605572 /nfs/dbraw/zinc/60/55/72/823605572.db2.gz LRAQYEMCNQWQRQ-NHCUHLMSSA-N 2 2 397.563 4.150 20 0 GIADLP Cc1c2ccccc2oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124548355 823605574 /nfs/dbraw/zinc/60/55/74/823605574.db2.gz LRAQYEMCNQWQRQ-NHCUHLMSSA-N 2 2 397.563 4.150 20 0 GIADLP CCCOc1c(Br)cc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1OC ZINC000125270031 823663910 /nfs/dbraw/zinc/66/39/10/823663910.db2.gz AQOHTDVIEWFLFK-UHFFFAOYSA-N 2 2 399.373 4.163 20 0 GIADLP CCCOc1c(Br)cc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1OC ZINC000125270031 823663911 /nfs/dbraw/zinc/66/39/11/823663911.db2.gz AQOHTDVIEWFLFK-UHFFFAOYSA-N 2 2 399.373 4.163 20 0 GIADLP Fc1cc(C[NH2+]Cc2ccccc2OCc2cccnc2)ccc1-n1cc[nH+]c1 ZINC000063548752 823678886 /nfs/dbraw/zinc/67/88/86/823678886.db2.gz BDCYPCFYWRMYSH-UHFFFAOYSA-N 2 2 388.446 4.275 20 0 GIADLP CC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000191387112 823679130 /nfs/dbraw/zinc/67/91/30/823679130.db2.gz SRBUXHXQSWRSIK-UHFFFAOYSA-N 2 2 381.568 4.060 20 0 GIADLP CC[N@H+](Cc1ccc(N(C)C(C)C)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000191387112 823679131 /nfs/dbraw/zinc/67/91/31/823679131.db2.gz SRBUXHXQSWRSIK-UHFFFAOYSA-N 2 2 381.568 4.060 20 0 GIADLP COc1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)ccc1SC ZINC000063912355 823710089 /nfs/dbraw/zinc/71/00/89/823710089.db2.gz PZLBJPSCUVJTHY-UHFFFAOYSA-N 2 2 399.604 4.027 20 0 GIADLP CCCOCc1ccccc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000163663358 823734604 /nfs/dbraw/zinc/73/46/04/823734604.db2.gz OTTRLDREBMTCOF-UHFFFAOYSA-N 2 2 381.564 4.438 20 0 GIADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCCO2 ZINC000163688410 823737245 /nfs/dbraw/zinc/73/72/45/823737245.db2.gz IOUNKPHQIUAYON-NRFANRHFSA-N 2 2 386.923 4.176 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000163732522 823742766 /nfs/dbraw/zinc/74/27/66/823742766.db2.gz XHTPZPQADAAONK-MRXNPFEDSA-N 2 2 378.438 4.388 20 0 GIADLP CC(C)([NH3+])c1noc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n1 ZINC000574573201 823770184 /nfs/dbraw/zinc/77/01/84/823770184.db2.gz YJPHFSPGXOLNIW-CTNGQTDRSA-N 2 2 376.504 4.214 20 0 GIADLP CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191876954 823801670 /nfs/dbraw/zinc/80/16/70/823801670.db2.gz WKCJCRVXXMSWRB-UHFFFAOYSA-N 2 2 392.503 4.040 20 0 GIADLP CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191876954 823801682 /nfs/dbraw/zinc/80/16/82/823801682.db2.gz WKCJCRVXXMSWRB-UHFFFAOYSA-N 2 2 392.503 4.040 20 0 GIADLP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113585 823832385 /nfs/dbraw/zinc/83/23/85/823832385.db2.gz TXZJOQITIGZSBF-FXAWDEMLSA-N 3 2 383.502 4.162 20 0 GIADLP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113585 823832393 /nfs/dbraw/zinc/83/23/93/823832393.db2.gz TXZJOQITIGZSBF-FXAWDEMLSA-N 3 2 383.502 4.162 20 0 GIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000192030359 823837140 /nfs/dbraw/zinc/83/71/40/823837140.db2.gz POOUBSXFDCWGEL-UHFFFAOYSA-N 2 2 377.332 4.497 20 0 GIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000192030359 823837146 /nfs/dbraw/zinc/83/71/46/823837146.db2.gz POOUBSXFDCWGEL-UHFFFAOYSA-N 2 2 377.332 4.497 20 0 GIADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)ccc1OC(F)F ZINC000126344055 823844820 /nfs/dbraw/zinc/84/48/20/823844820.db2.gz ZEFPOTHHZMOHIZ-CYBMUJFWSA-N 2 2 388.418 4.037 20 0 GIADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000165555101 823853757 /nfs/dbraw/zinc/85/37/57/823853757.db2.gz YTFPJJJMTYEKBN-NLFFAJNJSA-N 3 2 388.559 4.418 20 0 GIADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000165555101 823853763 /nfs/dbraw/zinc/85/37/63/823853763.db2.gz YTFPJJJMTYEKBN-NLFFAJNJSA-N 3 2 388.559 4.418 20 0 GIADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OCC2CC2)c1 ZINC000166918844 823884563 /nfs/dbraw/zinc/88/45/63/823884563.db2.gz JEYQMBOYAVKPCL-CVDCTZTESA-N 2 2 379.548 4.179 20 0 GIADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OCC2CC2)c1 ZINC000166918844 823884568 /nfs/dbraw/zinc/88/45/68/823884568.db2.gz JEYQMBOYAVKPCL-CVDCTZTESA-N 2 2 379.548 4.179 20 0 GIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000192163888 823887667 /nfs/dbraw/zinc/88/76/67/823887667.db2.gz LZZQWSIXRGNRKM-HSZRJFAPSA-N 2 2 375.472 4.193 20 0 GIADLP NC(=O)C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1 ZINC000575045218 823899177 /nfs/dbraw/zinc/89/91/77/823899177.db2.gz XEKQNLOZAFMIIR-LEWJYISDSA-N 2 2 397.950 4.043 20 0 GIADLP NC(=O)C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1 ZINC000575045218 823899180 /nfs/dbraw/zinc/89/91/80/823899180.db2.gz XEKQNLOZAFMIIR-LEWJYISDSA-N 2 2 397.950 4.043 20 0 GIADLP CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000168042583 823899434 /nfs/dbraw/zinc/89/94/34/823899434.db2.gz PKEXIZGDPFNRME-SFHVURJKSA-N 2 2 386.971 4.282 20 0 GIADLP CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000168042583 823899443 /nfs/dbraw/zinc/89/94/43/823899443.db2.gz PKEXIZGDPFNRME-SFHVURJKSA-N 2 2 386.971 4.282 20 0 GIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130821 823916532 /nfs/dbraw/zinc/91/65/32/823916532.db2.gz WXWYYFMASBNFAO-GMBSWORKSA-N 2 2 380.458 4.173 20 0 GIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130821 823916542 /nfs/dbraw/zinc/91/65/42/823916542.db2.gz WXWYYFMASBNFAO-GMBSWORKSA-N 2 2 380.458 4.173 20 0 GIADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1(C)C ZINC000414156206 823919310 /nfs/dbraw/zinc/91/93/10/823919310.db2.gz ULFSPTAQGINWQQ-SJJHQCBESA-N 2 2 376.507 4.364 20 0 GIADLP CC[N@H+](CCCc1ccncc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000462334355 823928429 /nfs/dbraw/zinc/92/84/29/823928429.db2.gz JIEDATQLQZHXBK-UHFFFAOYSA-N 2 2 381.568 4.227 20 0 GIADLP CC[N@@H+](CCCc1ccncc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000462334355 823928433 /nfs/dbraw/zinc/92/84/33/823928433.db2.gz JIEDATQLQZHXBK-UHFFFAOYSA-N 2 2 381.568 4.227 20 0 GIADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000414260857 823944807 /nfs/dbraw/zinc/94/48/07/823944807.db2.gz NDXPDZPRBBTPOQ-JXFKEZNVSA-N 2 2 388.353 4.153 20 0 GIADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000414260857 823944816 /nfs/dbraw/zinc/94/48/16/823944816.db2.gz NDXPDZPRBBTPOQ-JXFKEZNVSA-N 2 2 388.353 4.153 20 0 GIADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000414266013 823946269 /nfs/dbraw/zinc/94/62/69/823946269.db2.gz HECKCJHYHHCYPC-UHFFFAOYSA-N 2 2 392.522 4.117 20 0 GIADLP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000126770789 823946892 /nfs/dbraw/zinc/94/68/92/823946892.db2.gz DAISKHDTAHCFGT-IBGZPJMESA-N 3 2 375.626 4.347 20 0 GIADLP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000126770789 823946905 /nfs/dbraw/zinc/94/69/05/823946905.db2.gz DAISKHDTAHCFGT-IBGZPJMESA-N 3 2 375.626 4.347 20 0 GIADLP C[C@@H]([NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414852631 824042079 /nfs/dbraw/zinc/04/20/79/824042079.db2.gz KDNYFAACROHDPV-TZMCWYRMSA-N 2 2 380.355 4.050 20 0 GIADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc3ccccc3c[nH+]1)CC2 ZINC001164841763 720673128 /nfs/dbraw/zinc/67/31/28/720673128.db2.gz PWGUOAOLNCTLRL-QHCPKHFHSA-N 2 2 387.527 4.495 20 0 GIADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc3ccccc3c[nH+]1)CC2 ZINC001164841763 720673137 /nfs/dbraw/zinc/67/31/37/720673137.db2.gz PWGUOAOLNCTLRL-QHCPKHFHSA-N 2 2 387.527 4.495 20 0 GIADLP OC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1F ZINC000570514910 823048658 /nfs/dbraw/zinc/04/86/58/823048658.db2.gz XTWWEIIPHVXUKF-XLIONFOSSA-N 2 2 388.914 4.299 20 0 GIADLP OC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1F ZINC000570514910 823048664 /nfs/dbraw/zinc/04/86/64/823048664.db2.gz XTWWEIIPHVXUKF-XLIONFOSSA-N 2 2 388.914 4.299 20 0 GIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)COC(C)(C)O4)CC2)cc1 ZINC000187420164 823060342 /nfs/dbraw/zinc/06/03/42/823060342.db2.gz DMCPPIFTPZZEBI-UHFFFAOYSA-N 2 2 395.547 4.156 20 0 GIADLP CCCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)Nc1cc(C)on1 ZINC000175911036 823070497 /nfs/dbraw/zinc/07/04/97/823070497.db2.gz IGFUGXLIHPXADS-QMMLZNLJSA-N 2 2 398.551 4.123 20 0 GIADLP CCCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)Nc1cc(C)on1 ZINC000175911036 823070501 /nfs/dbraw/zinc/07/05/01/823070501.db2.gz IGFUGXLIHPXADS-QMMLZNLJSA-N 2 2 398.551 4.123 20 0 GIADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000571249434 823155705 /nfs/dbraw/zinc/15/57/05/823155705.db2.gz LASBKRDFELVCOB-HNNXBMFYSA-N 2 2 382.392 4.414 20 0 GIADLP Cc1nnc(C[NH2+][C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)s1 ZINC000571349659 823169300 /nfs/dbraw/zinc/16/93/00/823169300.db2.gz XVFOVYMLMDOMSH-IBGZPJMESA-N 2 2 376.545 4.329 20 0 GIADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)[C@H](C[NH3+])C1 ZINC000571403549 823178076 /nfs/dbraw/zinc/17/80/76/823178076.db2.gz LFQCBHGQHNRRFF-JKSUJKDBSA-N 2 2 384.467 4.372 20 0 GIADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)[C@H](C[NH3+])C1 ZINC000571403549 823178079 /nfs/dbraw/zinc/17/80/79/823178079.db2.gz LFQCBHGQHNRRFF-JKSUJKDBSA-N 2 2 384.467 4.372 20 0 GIADLP CCCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000459404214 823185624 /nfs/dbraw/zinc/18/56/24/823185624.db2.gz RPJQDWDSWWXNEF-QHCPKHFHSA-N 2 2 398.595 4.001 20 0 GIADLP Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000571464671 823186517 /nfs/dbraw/zinc/18/65/17/823186517.db2.gz CKOGRIMQXRIHIO-FQEVSTJZSA-N 2 2 399.966 4.477 20 0 GIADLP Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000571464671 823186519 /nfs/dbraw/zinc/18/65/19/823186519.db2.gz CKOGRIMQXRIHIO-FQEVSTJZSA-N 2 2 399.966 4.477 20 0 GIADLP Fc1ccc([C@@H](Cn2cnc3ccccc32)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459413168 823187442 /nfs/dbraw/zinc/18/74/42/823187442.db2.gz SZIFGAXQSPQJQU-JOCHJYFZSA-N 2 2 378.495 4.133 20 0 GIADLP Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]CCn1cc[nH+]c1 ZINC000121489654 823193790 /nfs/dbraw/zinc/19/37/90/823193790.db2.gz WZGOCFIQCKSTLZ-UHFFFAOYSA-N 2 2 391.450 4.098 20 0 GIADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000459488782 823202940 /nfs/dbraw/zinc/20/29/40/823202940.db2.gz JLUKLYAVUODRGN-MRXNPFEDSA-N 2 2 381.549 4.104 20 0 GIADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000459488782 823202944 /nfs/dbraw/zinc/20/29/44/823202944.db2.gz JLUKLYAVUODRGN-MRXNPFEDSA-N 2 2 381.549 4.104 20 0 GIADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc(Cl)sc2Cl)c2ccccc2)CC1 ZINC000572089912 823281801 /nfs/dbraw/zinc/28/18/01/823281801.db2.gz AHSOWOFFQTWIJZ-MRXNPFEDSA-N 2 2 384.376 4.133 20 0 GIADLP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4c(Br)ccc(F)c34)CC[C@H]21 ZINC000409731287 823293146 /nfs/dbraw/zinc/29/31/46/823293146.db2.gz YSLZLOBLVUTZCK-IUODEOHRSA-N 2 2 378.289 4.057 20 0 GIADLP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4c(Br)ccc(F)c34)CC[C@H]21 ZINC000409731287 823293149 /nfs/dbraw/zinc/29/31/49/823293149.db2.gz YSLZLOBLVUTZCK-IUODEOHRSA-N 2 2 378.289 4.057 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000572326534 823321032 /nfs/dbraw/zinc/32/10/32/823321032.db2.gz XUBZBKLAMIJRLW-PMVMPFDFSA-N 2 2 391.559 4.084 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000572326534 823321039 /nfs/dbraw/zinc/32/10/39/823321039.db2.gz XUBZBKLAMIJRLW-PMVMPFDFSA-N 2 2 391.559 4.084 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000572326534 823321045 /nfs/dbraw/zinc/32/10/45/823321045.db2.gz XUBZBKLAMIJRLW-PMVMPFDFSA-N 2 2 391.559 4.084 20 0 GIADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000572326534 823321051 /nfs/dbraw/zinc/32/10/51/823321051.db2.gz XUBZBKLAMIJRLW-PMVMPFDFSA-N 2 2 391.559 4.084 20 0 GIADLP Brc1ccccc1-c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000572327098 823321205 /nfs/dbraw/zinc/32/12/05/823321205.db2.gz UQYFGVLFAMDATR-MRXNPFEDSA-N 2 2 382.305 4.486 20 0 GIADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889412 823345220 /nfs/dbraw/zinc/34/52/20/823345220.db2.gz RDZIOBXUQGYARQ-MRXNPFEDSA-N 2 2 395.950 4.394 20 0 GIADLP C[C@H](c1cccc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)c1)[NH+]1CCOCC1 ZINC000572479755 823347380 /nfs/dbraw/zinc/34/73/80/823347380.db2.gz IDRPIBKFSVHGDM-WIYYLYMNSA-N 2 2 387.568 4.096 20 0 GIADLP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410256965 823436536 /nfs/dbraw/zinc/43/65/36/823436536.db2.gz PWWINTJJMQYMIJ-IRLDBZIGSA-N 2 2 394.563 4.009 20 0 GIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000041650549 821215792 /nfs/dbraw/zinc/21/57/92/821215792.db2.gz XKMQJULOLUFQAU-QWRGUYRKSA-N 2 2 387.119 4.147 20 0 GIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533157 821601117 /nfs/dbraw/zinc/60/11/17/821601117.db2.gz DBSXSPWPJZWTQO-NEPJUHHUSA-N 2 2 390.163 4.204 20 0 GIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533157 821601120 /nfs/dbraw/zinc/60/11/20/821601120.db2.gz DBSXSPWPJZWTQO-NEPJUHHUSA-N 2 2 390.163 4.204 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)on1 ZINC000181118622 821644132 /nfs/dbraw/zinc/64/41/32/821644132.db2.gz CZGPAZVAEFGDKF-GOSISDBHSA-N 2 2 391.515 4.421 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)on1 ZINC000181118622 821644138 /nfs/dbraw/zinc/64/41/38/821644138.db2.gz CZGPAZVAEFGDKF-GOSISDBHSA-N 2 2 391.515 4.421 20 0 GIADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000181162803 821673159 /nfs/dbraw/zinc/67/31/59/821673159.db2.gz CNAAVHUWRUDRRH-QHCPKHFHSA-N 2 2 393.575 4.113 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1nc2c(s1)CCCC2 ZINC000181194674 821689621 /nfs/dbraw/zinc/68/96/21/821689621.db2.gz ZHWVPIYJJNBVDJ-KSZLIROESA-N 2 2 399.604 4.482 20 0 GIADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1nc2c(s1)CCCC2 ZINC000181194674 821689630 /nfs/dbraw/zinc/68/96/30/821689630.db2.gz ZHWVPIYJJNBVDJ-KSZLIROESA-N 2 2 399.604 4.482 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1nc(-c2ccccc2)cs1 ZINC000181414060 821813206 /nfs/dbraw/zinc/81/32/06/821813206.db2.gz GXQFELKUVAGCAM-DQLDELGASA-N 2 2 385.577 4.229 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1Br ZINC000181416151 821814120 /nfs/dbraw/zinc/81/41/20/821814120.db2.gz FGAYDOVUNPPUTF-AGRHKRQWSA-N 2 2 399.348 4.007 20 0 GIADLP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(Br)c1 ZINC000181505365 821857909 /nfs/dbraw/zinc/85/79/09/821857909.db2.gz BGLKKWMOIVJHMW-CQSZACIVSA-N 2 2 390.325 4.172 20 0 GIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000181586695 821891282 /nfs/dbraw/zinc/89/12/82/821891282.db2.gz OALHJWRVJPUHJS-OALUTQOASA-N 2 2 392.547 4.085 20 0 GIADLP COCc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccc1OC ZINC000181591977 821894011 /nfs/dbraw/zinc/89/40/11/821894011.db2.gz RBRPWFMCMYLEBH-ROUUACIJSA-N 2 2 383.536 4.113 20 0 GIADLP CC[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1cccc(Cl)c1 ZINC000182585387 822312630 /nfs/dbraw/zinc/31/26/30/822312630.db2.gz LHEGIUHSBHDLAD-QGZVFWFLSA-N 2 2 392.956 4.072 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2F)cn1 ZINC000178412824 822376970 /nfs/dbraw/zinc/37/69/70/822376970.db2.gz QBNLBXSNNZTTAH-GFCCVEGCSA-N 2 2 389.272 4.328 20 0 GIADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000183078013 822421599 /nfs/dbraw/zinc/42/15/99/822421599.db2.gz VCOLROSABUQDHO-RPWUZVMVSA-N 2 2 394.559 4.220 20 0 GIADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1nc2c(s1)CCCC2 ZINC000179435818 822482274 /nfs/dbraw/zinc/48/22/74/822482274.db2.gz URDQPSXDMZBGCY-INIZCTEOSA-N 2 2 384.593 4.408 20 0 GIADLP COc1ccc([C@@H](Cc2ccccc2C)[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000179668718 822523586 /nfs/dbraw/zinc/52/35/86/822523586.db2.gz XMEDDWDUVSMOCC-OAQYLSRUSA-N 2 2 379.504 4.172 20 0 GIADLP COc1ccccc1[C@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)[NH+]1CCCCC1 ZINC000455471576 822661072 /nfs/dbraw/zinc/66/10/72/822661072.db2.gz IXQRPBJROXJMSK-FQEVSTJZSA-N 2 2 396.535 4.364 20 0 GIADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455479351 822662341 /nfs/dbraw/zinc/66/23/41/822662341.db2.gz GKHMOBPJQWLIIJ-OAQYLSRUSA-N 2 2 380.536 4.383 20 0 GIADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455479351 822662343 /nfs/dbraw/zinc/66/23/43/822662343.db2.gz GKHMOBPJQWLIIJ-OAQYLSRUSA-N 2 2 380.536 4.383 20 0 GIADLP COc1ccc([C@H](CNC(=O)Nc2c(C)cc(C)[nH+]c2C)[NH+]2CCCCC2)cc1 ZINC000455479033 822662380 /nfs/dbraw/zinc/66/23/80/822662380.db2.gz NLWHCPRKBDBOJB-NRFANRHFSA-N 2 2 396.535 4.364 20 0 GIADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000180421167 822678601 /nfs/dbraw/zinc/67/86/01/822678601.db2.gz SDUNZSNVJPCEBC-SFYKDHMMSA-N 2 2 394.563 4.066 20 0 GIADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000180421167 822678603 /nfs/dbraw/zinc/67/86/03/822678603.db2.gz SDUNZSNVJPCEBC-SFYKDHMMSA-N 2 2 394.563 4.066 20 0 GIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000174296196 822765903 /nfs/dbraw/zinc/76/59/03/822765903.db2.gz CEAYRMMTFQCJRS-SFHVURJKSA-N 2 2 381.520 4.268 20 0 GIADLP Cc1cnc([C@H]([NH2+]CCC[NH2+][C@@H](c2ncc(C)s2)C2CC2)C2CC2)s1 ZINC000185362480 822771913 /nfs/dbraw/zinc/77/19/13/822771913.db2.gz OEJQUAMZYONPRV-IAGOWNOFSA-N 2 2 376.595 4.388 20 0 GIADLP c1[nH+]cn(Cc2ccccc2)c1Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000569773092 822966796 /nfs/dbraw/zinc/96/67/96/822966796.db2.gz RLBSBJDFBZKPLS-UHFFFAOYSA-N 2 2 399.498 4.168 20 0 GIADLP Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1O ZINC000187080647 823007942 /nfs/dbraw/zinc/00/79/42/823007942.db2.gz AHMXQOHRKWZITN-AWEZNQCLSA-N 2 2 386.293 4.500 20 0 GIADLP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000187119135 823013489 /nfs/dbraw/zinc/01/34/89/823013489.db2.gz AREGUQCFIQWFFD-UHFFFAOYSA-N 2 2 384.483 4.292 20 0 GIADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000411302553 823563371 /nfs/dbraw/zinc/56/33/71/823563371.db2.gz FWNJHZQVYCSCNV-PFYGBQHCSA-N 4 2 394.692 4.012 20 0 GIADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000411302553 823563376 /nfs/dbraw/zinc/56/33/76/823563376.db2.gz FWNJHZQVYCSCNV-PFYGBQHCSA-N 4 2 394.692 4.012 20 0 GIADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000411302553 823563377 /nfs/dbraw/zinc/56/33/77/823563377.db2.gz FWNJHZQVYCSCNV-PFYGBQHCSA-N 4 2 394.692 4.012 20 0 GIADLP CC[NH+]1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000411302553 823563382 /nfs/dbraw/zinc/56/33/82/823563382.db2.gz FWNJHZQVYCSCNV-PFYGBQHCSA-N 4 2 394.692 4.012 20 0 GIADLP c1cn(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c[nH+]1 ZINC000061014624 823572942 /nfs/dbraw/zinc/57/29/42/823572942.db2.gz GJKFCEIQWAHYQU-UHFFFAOYSA-N 2 2 383.455 4.272 20 0 GIADLP Clc1cccc(-c2noc(CC[NH+]3CCC(CCCn4cc[nH+]c4)CC3)n2)c1 ZINC000411503272 823582078 /nfs/dbraw/zinc/58/20/78/823582078.db2.gz KOUNMOMXKHKYSZ-UHFFFAOYSA-N 2 2 399.926 4.321 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3c(O)ccc(Cl)c3F)cc2)C[C@H](C)O1 ZINC000190730394 823602775 /nfs/dbraw/zinc/60/27/75/823602775.db2.gz YVNKPCMVCOOEEC-GASCZTMLSA-N 2 2 392.902 4.084 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3c(O)ccc(Cl)c3F)cc2)C[C@H](C)O1 ZINC000190730394 823602778 /nfs/dbraw/zinc/60/27/78/823602778.db2.gz YVNKPCMVCOOEEC-GASCZTMLSA-N 2 2 392.902 4.084 20 0 GIADLP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254470 823626768 /nfs/dbraw/zinc/62/67/68/823626768.db2.gz UGVNISCWIQDDBK-AWEZNQCLSA-N 2 2 392.334 4.169 20 0 GIADLP CC[NH+]1CCC([N@H+](C)Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC1 ZINC000125218524 823659889 /nfs/dbraw/zinc/65/98/89/823659889.db2.gz FPHOYSDDYRXUTH-UHFFFAOYSA-N 2 2 384.568 4.230 20 0 GIADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC1 ZINC000125218524 823659892 /nfs/dbraw/zinc/65/98/92/823659892.db2.gz FPHOYSDDYRXUTH-UHFFFAOYSA-N 2 2 384.568 4.230 20 0 GIADLP COc1ccc2c(c1)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCS2 ZINC000191492953 823690943 /nfs/dbraw/zinc/69/09/43/823690943.db2.gz VLTOXUPWXCFZSI-FQEVSTJZSA-N 2 2 379.529 4.309 20 0 GIADLP C[C@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125646116 823692939 /nfs/dbraw/zinc/69/29/39/823692939.db2.gz PWJFFNZOTQJPDA-LIRRHRJNSA-N 2 2 391.393 4.155 20 0 GIADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1Br ZINC000191537544 823697385 /nfs/dbraw/zinc/69/73/85/823697385.db2.gz CWKDSCYTZRGHKX-QFBILLFUSA-N 2 2 388.353 4.153 20 0 GIADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1Br ZINC000191537544 823697386 /nfs/dbraw/zinc/69/73/86/823697386.db2.gz CWKDSCYTZRGHKX-QFBILLFUSA-N 2 2 388.353 4.153 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000163732429 823742649 /nfs/dbraw/zinc/74/26/49/823742649.db2.gz XHTPZPQADAAONK-INIZCTEOSA-N 2 2 378.438 4.388 20 0 GIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1OC(F)F ZINC000163753080 823745304 /nfs/dbraw/zinc/74/53/04/823745304.db2.gz HQQLAIHUYLLXDO-HNNXBMFYSA-N 2 2 394.437 4.110 20 0 GIADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3ncc[nH]3)C3CCCCC3)c2)CCO1 ZINC000574591413 823773983 /nfs/dbraw/zinc/77/39/83/823773983.db2.gz TXSBZTWRALDCER-GCJKJVERSA-N 2 2 382.552 4.042 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3ncc[nH]3)C3CCCCC3)c2)CCO1 ZINC000574591413 823773988 /nfs/dbraw/zinc/77/39/88/823773988.db2.gz TXSBZTWRALDCER-GCJKJVERSA-N 2 2 382.552 4.042 20 0 GIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831505 823789454 /nfs/dbraw/zinc/78/94/54/823789454.db2.gz AIPSZPHHYKPHHR-FXAWDEMLSA-N 2 2 381.545 4.238 20 0 GIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831505 823789458 /nfs/dbraw/zinc/78/94/58/823789458.db2.gz AIPSZPHHYKPHHR-FXAWDEMLSA-N 2 2 381.545 4.238 20 0 GIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000192015449 823835233 /nfs/dbraw/zinc/83/52/33/823835233.db2.gz OLBIQQZRPGMLMB-HSZRJFAPSA-N 2 2 379.479 4.265 20 0 GIADLP CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000167151992 823887076 /nfs/dbraw/zinc/88/70/76/823887076.db2.gz KKAJAYDAZOXFQW-IBGZPJMESA-N 2 2 379.504 4.447 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(Br)c(Cl)c2)cn1 ZINC000192166198 823888639 /nfs/dbraw/zinc/88/86/39/823888639.db2.gz HTFMYKVFPYUINB-UHFFFAOYSA-N 2 2 391.700 4.281 20 0 GIADLP CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000168042676 823899269 /nfs/dbraw/zinc/89/92/69/823899269.db2.gz PKEXIZGDPFNRME-GOSISDBHSA-N 2 2 386.971 4.282 20 0 GIADLP CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000168042676 823899276 /nfs/dbraw/zinc/89/92/76/823899276.db2.gz PKEXIZGDPFNRME-GOSISDBHSA-N 2 2 386.971 4.282 20 0 GIADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1(C)C ZINC000414156204 823919648 /nfs/dbraw/zinc/91/96/48/823919648.db2.gz ULFSPTAQGINWQQ-GQGLESIBSA-N 2 2 376.507 4.364 20 0 GIADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1(C)C ZINC000414156196 823919705 /nfs/dbraw/zinc/91/97/05/823919705.db2.gz ULFSPTAQGINWQQ-BACDZXNISA-N 2 2 376.507 4.364 20 0 GIADLP COc1cccc2c1CC[C@H]([NH2+]CC1([NH2+][C@H](C)c3ccccc3)CCOCC1)C2 ZINC000192443157 823995283 /nfs/dbraw/zinc/99/52/83/823995283.db2.gz DYODYQOABSQLIB-KNQAVFIVSA-N 2 2 394.559 4.042 20 0 GIADLP CCC([NH3+])(CC)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414805571 824037799 /nfs/dbraw/zinc/03/77/99/824037799.db2.gz GPCGFUGQPOWYBF-UHFFFAOYSA-N 2 2 392.341 4.030 20 0 GIADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414817116 824039175 /nfs/dbraw/zinc/03/91/75/824039175.db2.gz ZHQKFRXRFJJKHT-HNNXBMFYSA-N 2 2 385.474 4.325 20 0 GIADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(OCc3ccncc3)cc2)cc1 ZINC000414891883 824046332 /nfs/dbraw/zinc/04/63/32/824046332.db2.gz IPJGPXQYOMZSTO-ZEQRLZLVSA-N 2 2 391.490 4.035 20 0 GIADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3ccc(C)c(C)c3[nH+]1)C2 ZINC001164815072 720174281 /nfs/dbraw/zinc/17/42/81/720174281.db2.gz HVLJEFAIKHCHKQ-SQJMNOBHSA-N 2 2 393.575 4.345 20 0 GIADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3ccc(C)c(C)c3[nH+]1)C2 ZINC001164815072 720174282 /nfs/dbraw/zinc/17/42/82/720174282.db2.gz HVLJEFAIKHCHKQ-SQJMNOBHSA-N 2 2 393.575 4.345 20 0 GIADLP CSc1cc[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839614 720713103 /nfs/dbraw/zinc/71/31/03/720713103.db2.gz MEQZSGPGFZGPLE-IBGZPJMESA-N 2 2 383.561 4.063 20 0 GIADLP CSc1cc[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839614 720713116 /nfs/dbraw/zinc/71/31/16/720713116.db2.gz MEQZSGPGFZGPLE-IBGZPJMESA-N 2 2 383.561 4.063 20 0 GIADLP Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)cc(C2CCCCC2)[nH+]1 ZINC001164861679 720993217 /nfs/dbraw/zinc/99/32/17/720993217.db2.gz QCNLSADDIUZNLM-QGZVFWFLSA-N 2 2 396.583 4.451 20 0 GIADLP Cc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cc(C2CCCCC2)[nH+]1 ZINC001164861679 720993226 /nfs/dbraw/zinc/99/32/26/720993226.db2.gz QCNLSADDIUZNLM-QGZVFWFLSA-N 2 2 396.583 4.451 20 0 GIADLP Cc1cc(Cl)c(C)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165023503 721815345 /nfs/dbraw/zinc/81/53/45/721815345.db2.gz HGPGNVSMCPGQFI-DSKINZAPSA-N 2 2 384.955 4.484 20 0 GIADLP Cc1cc(Cl)c(C)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165023503 721815347 /nfs/dbraw/zinc/81/53/47/721815347.db2.gz HGPGNVSMCPGQFI-DSKINZAPSA-N 2 2 384.955 4.484 20 0 GIADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cccc(C5CC5)[nH+]4)CC3)C2)cc1 ZINC001164940839 721932960 /nfs/dbraw/zinc/93/29/60/721932960.db2.gz FFZUVAOOVMHIRE-UHFFFAOYSA-N 2 2 377.532 4.139 20 0 GIADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cccc(C5CC5)[nH+]4)CC3)C2)cc1 ZINC001164940839 721932961 /nfs/dbraw/zinc/93/29/61/721932961.db2.gz FFZUVAOOVMHIRE-UHFFFAOYSA-N 2 2 377.532 4.139 20 0 GIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570704221 823073790 /nfs/dbraw/zinc/07/37/90/823073790.db2.gz NRNXQOSPJTUKSZ-NMMYMHLASA-N 2 2 382.548 4.068 20 0 GIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570704221 823073795 /nfs/dbraw/zinc/07/37/95/823073795.db2.gz NRNXQOSPJTUKSZ-NMMYMHLASA-N 2 2 382.548 4.068 20 0 GIADLP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000187711153 823118238 /nfs/dbraw/zinc/11/82/38/823118238.db2.gz NVDXSCXRWZEVPR-MOPGFXCFSA-N 2 2 392.609 4.128 20 0 GIADLP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000187711153 823118241 /nfs/dbraw/zinc/11/82/41/823118241.db2.gz NVDXSCXRWZEVPR-MOPGFXCFSA-N 2 2 392.609 4.128 20 0 GIADLP C[C@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000187746677 823124329 /nfs/dbraw/zinc/12/43/29/823124329.db2.gz UUKGGJVLDWVUDR-KRWDZBQOSA-N 2 2 382.508 4.090 20 0 GIADLP CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459090435 823126399 /nfs/dbraw/zinc/12/63/99/823126399.db2.gz ZJYXXVFVQLYPQN-UGKGYDQZSA-N 2 2 380.536 4.065 20 0 GIADLP CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459090435 823126403 /nfs/dbraw/zinc/12/64/03/823126403.db2.gz ZJYXXVFVQLYPQN-UGKGYDQZSA-N 2 2 380.536 4.065 20 0 GIADLP Brc1cncc([C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)c1 ZINC000571151302 823141307 /nfs/dbraw/zinc/14/13/07/823141307.db2.gz ZMDDNADELKTHTC-QGZVFWFLSA-N 2 2 389.322 4.332 20 0 GIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000121248464 823147202 /nfs/dbraw/zinc/14/72/02/823147202.db2.gz YEGSEZBLTZOIJZ-MRXNPFEDSA-N 2 2 398.576 4.347 20 0 GIADLP CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000572150726 823290683 /nfs/dbraw/zinc/29/06/83/823290683.db2.gz GHRMXCUMISDIGR-UHFFFAOYSA-N 2 2 395.551 4.225 20 0 GIADLP CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000572150726 823290694 /nfs/dbraw/zinc/29/06/94/823290694.db2.gz GHRMXCUMISDIGR-UHFFFAOYSA-N 2 2 395.551 4.225 20 0 GIADLP CN(C(=O)c1cccc(C2CCC2)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409852690 823326441 /nfs/dbraw/zinc/32/64/41/823326441.db2.gz JTXVTNGXQOIEAB-DNQXCXABSA-N 2 2 397.607 4.363 20 0 GIADLP CN(C(=O)c1cccc(C2CCC2)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409852690 823326449 /nfs/dbraw/zinc/32/64/49/823326449.db2.gz JTXVTNGXQOIEAB-DNQXCXABSA-N 2 2 397.607 4.363 20 0 GIADLP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000057847234 823340834 /nfs/dbraw/zinc/34/08/34/823340834.db2.gz VPHHTIFLYPYJSO-CQSZACIVSA-N 2 2 386.367 4.374 20 0 GIADLP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H](c3ccco3)[NH+](C)C)c2c1C ZINC000022344079 818794494 /nfs/dbraw/zinc/79/44/94/818794494.db2.gz DVSRAUCGTXPTDQ-MRXNPFEDSA-N 2 2 399.564 4.212 20 0 GIADLP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410256964 823436379 /nfs/dbraw/zinc/43/63/79/823436379.db2.gz PWWINTJJMQYMIJ-IFMALSPDSA-N 2 2 394.563 4.009 20 0 GIADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc2c(c1)OCCO2 ZINC000181590152 821893345 /nfs/dbraw/zinc/89/33/45/821893345.db2.gz HOVKYBQAHBHSPS-UTKZUKDTSA-N 2 2 381.520 4.119 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178103173 822320653 /nfs/dbraw/zinc/32/06/53/822320653.db2.gz QDTONYTZRMFVCC-GCJKJVERSA-N 2 2 395.547 4.037 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178103173 822320663 /nfs/dbraw/zinc/32/06/63/822320663.db2.gz QDTONYTZRMFVCC-GCJKJVERSA-N 2 2 395.547 4.037 20 0 GIADLP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000182785745 822367300 /nfs/dbraw/zinc/36/73/00/822367300.db2.gz KQWKINKSNNANAO-INIZCTEOSA-N 2 2 381.511 4.126 20 0 GIADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc2c(c1)CCO2 ZINC000178534653 822388980 /nfs/dbraw/zinc/38/89/80/822388980.db2.gz QHKGHKARVMHHNI-MOPGFXCFSA-N 2 2 380.532 4.172 20 0 GIADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1nc2c(s1)CCCC2 ZINC000179435829 822482504 /nfs/dbraw/zinc/48/25/04/822482504.db2.gz URDQPSXDMZBGCY-MRXNPFEDSA-N 2 2 384.593 4.408 20 0 GIADLP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1nccs1 ZINC000179600402 822510441 /nfs/dbraw/zinc/51/04/41/822510441.db2.gz FANJEBVRFNAPCQ-QAPCUYQASA-N 2 2 383.521 4.033 20 0 GIADLP COc1ccccc1COC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000179759311 822544944 /nfs/dbraw/zinc/54/49/44/822544944.db2.gz VNXPTKLCHQWRSI-UHFFFAOYSA-N 2 2 377.488 4.062 20 0 GIADLP C[N@@H+](Cc1c(C2CC2)nc2sccn12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180196885 822637438 /nfs/dbraw/zinc/63/74/38/822637438.db2.gz CHMCJONOJJFDNE-SFHVURJKSA-N 2 2 380.561 4.227 20 0 GIADLP C[N@H+](Cc1c(C2CC2)nc2sccn12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180196885 822637440 /nfs/dbraw/zinc/63/74/40/822637440.db2.gz CHMCJONOJJFDNE-SFHVURJKSA-N 2 2 380.561 4.227 20 0 GIADLP C[NH+](Cc1c(C2CC2)nc2sccn12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180196885 822637442 /nfs/dbraw/zinc/63/74/42/822637442.db2.gz CHMCJONOJJFDNE-SFHVURJKSA-N 2 2 380.561 4.227 20 0 GIADLP C[NH+](Cc1c(C2CC2)nc2sccn12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180196885 822637444 /nfs/dbraw/zinc/63/74/44/822637444.db2.gz CHMCJONOJJFDNE-SFHVURJKSA-N 2 2 380.561 4.227 20 0 GIADLP Brc1ccc2[nH]c(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)cc2c1 ZINC000184674942 822674296 /nfs/dbraw/zinc/67/42/96/822674296.db2.gz IQULBAIPANXIRW-UHFFFAOYSA-N 2 2 399.336 4.080 20 0 GIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)CC3 ZINC000180560969 822702707 /nfs/dbraw/zinc/70/27/07/822702707.db2.gz VERPLBXOVNGJCJ-YCRNBWNJSA-N 2 2 388.559 4.229 20 0 GIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)CC3 ZINC000180560969 822702711 /nfs/dbraw/zinc/70/27/11/822702711.db2.gz VERPLBXOVNGJCJ-YCRNBWNJSA-N 2 2 388.559 4.229 20 0 GIADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455867955 822739728 /nfs/dbraw/zinc/73/97/28/822739728.db2.gz VSBADEKUKJHQSN-KKSFZXQISA-N 2 2 398.576 4.208 20 0 GIADLP C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000455915546 822748543 /nfs/dbraw/zinc/74/85/43/822748543.db2.gz KERWJLPZVACDBM-OPAMFIHVSA-N 2 2 389.503 4.304 20 0 GIADLP C[NH+]1CCC(CNC(=O)Nc2cccc(Cl)c2Cl)([NH+]2CCCCC2)CC1 ZINC000174364689 822778510 /nfs/dbraw/zinc/77/85/10/822778510.db2.gz KFECUTDFUJUPHT-UHFFFAOYSA-N 2 2 399.366 4.065 20 0 GIADLP CC[N@@H+](Cc1cncc(Br)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174486372 822795944 /nfs/dbraw/zinc/79/59/44/822795944.db2.gz NKQUDFCLRCPQNK-SFHVURJKSA-N 2 2 388.353 4.188 20 0 GIADLP CC[N@H+](Cc1cncc(Br)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174486372 822795947 /nfs/dbraw/zinc/79/59/47/822795947.db2.gz NKQUDFCLRCPQNK-SFHVURJKSA-N 2 2 388.353 4.188 20 0 GIADLP CC[NH+](Cc1cncc(Br)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174486372 822795948 /nfs/dbraw/zinc/79/59/48/822795948.db2.gz NKQUDFCLRCPQNK-SFHVURJKSA-N 2 2 388.353 4.188 20 0 GIADLP CC[NH+](Cc1cncc(Br)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174486372 822795950 /nfs/dbraw/zinc/79/59/50/822795950.db2.gz NKQUDFCLRCPQNK-SFHVURJKSA-N 2 2 388.353 4.188 20 0 GIADLP C[N@H+](Cc1cc(Br)cs1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655336 822818545 /nfs/dbraw/zinc/81/85/45/822818545.db2.gz JTCICQDVRZSKLJ-UHFFFAOYSA-N 2 2 394.382 4.045 20 0 GIADLP C[N@@H+](Cc1cc(Br)cs1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655336 822818550 /nfs/dbraw/zinc/81/85/50/822818550.db2.gz JTCICQDVRZSKLJ-UHFFFAOYSA-N 2 2 394.382 4.045 20 0 GIADLP CC[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000186347881 822879706 /nfs/dbraw/zinc/87/97/06/822879706.db2.gz GDOAJWCAIOTFJO-UHFFFAOYSA-N 2 2 395.547 4.465 20 0 GIADLP CC[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000186347881 822879708 /nfs/dbraw/zinc/87/97/08/822879708.db2.gz GDOAJWCAIOTFJO-UHFFFAOYSA-N 2 2 395.547 4.465 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000186371632 822883708 /nfs/dbraw/zinc/88/37/08/822883708.db2.gz WSAKPLMKUNGYDA-QPPBQGQZSA-N 2 2 393.575 4.269 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000186371632 822883712 /nfs/dbraw/zinc/88/37/12/822883712.db2.gz WSAKPLMKUNGYDA-QPPBQGQZSA-N 2 2 393.575 4.269 20 0 GIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186400378 822888208 /nfs/dbraw/zinc/88/82/08/822888208.db2.gz SAIHCKDKDLVESZ-QGZVFWFLSA-N 2 2 381.520 4.042 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ncc(Br)cc1F ZINC000186965991 822988882 /nfs/dbraw/zinc/98/88/82/822988882.db2.gz HWWZFORTWYILPJ-CQSZACIVSA-N 2 2 392.316 4.430 20 0 GIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3nc2Cl)[C@H](C)C1 ZINC000187015278 822997974 /nfs/dbraw/zinc/99/79/74/822997974.db2.gz BYBZTFDOSRDMTC-APWZRJJASA-N 2 2 375.944 4.115 20 0 GIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3nc2Cl)[C@H](C)C1 ZINC000187015278 822997976 /nfs/dbraw/zinc/99/79/76/822997976.db2.gz BYBZTFDOSRDMTC-APWZRJJASA-N 2 2 375.944 4.115 20 0 GIADLP CC[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000187101579 823010675 /nfs/dbraw/zinc/01/06/75/823010675.db2.gz MTOZSSVNXGBLSW-HXUWFJFHSA-N 2 2 391.918 4.146 20 0 GIADLP CC[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000187101579 823010679 /nfs/dbraw/zinc/01/06/79/823010679.db2.gz MTOZSSVNXGBLSW-HXUWFJFHSA-N 2 2 391.918 4.146 20 0 GIADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124465468 823598920 /nfs/dbraw/zinc/59/89/20/823598920.db2.gz VYZFEWNYSMRAFE-ZDUSSCGKSA-N 2 2 379.386 4.035 20 0 GIADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124465468 823598924 /nfs/dbraw/zinc/59/89/24/823598924.db2.gz VYZFEWNYSMRAFE-ZDUSSCGKSA-N 2 2 379.386 4.035 20 0 GIADLP Cc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000190695808 823599000 /nfs/dbraw/zinc/59/90/00/823599000.db2.gz PDUYAXQXVNENSP-OXJNMPFZSA-N 2 2 388.353 4.153 20 0 GIADLP Cc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000190695808 823599002 /nfs/dbraw/zinc/59/90/02/823599002.db2.gz PDUYAXQXVNENSP-OXJNMPFZSA-N 2 2 388.353 4.153 20 0 GIADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c(O)ccc(Cl)c3F)cc2)C[C@H](C)O1 ZINC000190730410 823602790 /nfs/dbraw/zinc/60/27/90/823602790.db2.gz YVNKPCMVCOOEEC-GJZGRUSLSA-N 2 2 392.902 4.084 20 0 GIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ncc(Br)cn1 ZINC000411760780 823603246 /nfs/dbraw/zinc/60/32/46/823603246.db2.gz STQDNQOHQIEARH-OAHLLOKOSA-N 2 2 389.341 4.076 20 0 GIADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000061558288 823603807 /nfs/dbraw/zinc/60/38/07/823603807.db2.gz UATKNZFKOJHSQU-UHFFFAOYSA-N 2 2 392.950 4.244 20 0 GIADLP Cc1c2ccccc2oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124548128 823605427 /nfs/dbraw/zinc/60/54/27/823605427.db2.gz LRAQYEMCNQWQRQ-SFTDATJTSA-N 2 2 397.563 4.150 20 0 GIADLP Cc1c2ccccc2oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124548128 823605429 /nfs/dbraw/zinc/60/54/29/823605429.db2.gz LRAQYEMCNQWQRQ-SFTDATJTSA-N 2 2 397.563 4.150 20 0 GIADLP C[C@H](C[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)Cn1cc[nH+]c1 ZINC000062254796 823626764 /nfs/dbraw/zinc/62/67/64/823626764.db2.gz UBFBUYVPVLHPBB-DOMZBBRYSA-N 2 2 395.347 4.181 20 0 GIADLP CC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000125261334 823663210 /nfs/dbraw/zinc/66/32/10/823663210.db2.gz LRJMRGJQBUNFJA-UHFFFAOYSA-N 2 2 398.547 4.199 20 0 GIADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000125261334 823663212 /nfs/dbraw/zinc/66/32/12/823663212.db2.gz LRJMRGJQBUNFJA-UHFFFAOYSA-N 2 2 398.547 4.199 20 0 GIADLP Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+]CCn1cc[nH+]c1 ZINC000163397229 823706129 /nfs/dbraw/zinc/70/61/29/823706129.db2.gz CTZNMWTZDGJZKR-UHFFFAOYSA-N 2 2 391.450 4.098 20 0 GIADLP COCC[NH+]1CCC([NH2+][C@H](COc2c(C)cccc2C)c2ccccc2)CC1 ZINC000461888482 823739721 /nfs/dbraw/zinc/73/97/21/823739721.db2.gz GVGREIDZVPQHTJ-HSZRJFAPSA-N 2 2 382.548 4.124 20 0 GIADLP COc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1SC ZINC000163737426 823743799 /nfs/dbraw/zinc/74/37/99/823743799.db2.gz VHHZGLNHXJYNNA-KRWDZBQOSA-N 2 2 386.561 4.100 20 0 GIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1OC(F)F ZINC000163753188 823745453 /nfs/dbraw/zinc/74/54/53/823745453.db2.gz HQQLAIHUYLLXDO-OAHLLOKOSA-N 2 2 394.437 4.110 20 0 GIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000163916280 823760563 /nfs/dbraw/zinc/76/05/63/823760563.db2.gz SSHGKEJJEUSLKV-NLWGTHIKSA-N 2 2 383.536 4.481 20 0 GIADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000163916280 823760572 /nfs/dbraw/zinc/76/05/72/823760572.db2.gz SSHGKEJJEUSLKV-NLWGTHIKSA-N 2 2 383.536 4.481 20 0 GIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000126187166 823807858 /nfs/dbraw/zinc/80/78/58/823807858.db2.gz RKOUNSQDEOWGBX-DZFGPLHGSA-N 2 2 383.536 4.050 20 0 GIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000126187166 823807866 /nfs/dbraw/zinc/80/78/66/823807866.db2.gz RKOUNSQDEOWGBX-DZFGPLHGSA-N 2 2 383.536 4.050 20 0 GIADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1SC ZINC000126269900 823824913 /nfs/dbraw/zinc/82/49/13/823824913.db2.gz QPKJUESPBHUWPO-UWVAXJGDSA-N 2 2 385.577 4.373 20 0 GIADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1SC ZINC000126269900 823824915 /nfs/dbraw/zinc/82/49/15/823824915.db2.gz QPKJUESPBHUWPO-UWVAXJGDSA-N 2 2 385.577 4.373 20 0 GIADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CN1C1CC1 ZINC000165576158 823854482 /nfs/dbraw/zinc/85/44/82/823854482.db2.gz JKIHSAFYHPDJSF-CVDCTZTESA-N 2 2 386.543 4.313 20 0 GIADLP CCc1nc2c(s1)[C@H]([NH2+][C@H](CC[N@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994319 823868082 /nfs/dbraw/zinc/86/80/82/823868082.db2.gz YAJDSCJFKFSKFY-RTBURBONSA-N 2 2 387.593 4.382 20 0 GIADLP CCc1nc2c(s1)[C@H]([NH2+][C@H](CC[N@@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994319 823868084 /nfs/dbraw/zinc/86/80/84/823868084.db2.gz YAJDSCJFKFSKFY-RTBURBONSA-N 2 2 387.593 4.382 20 0 GIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)[nH+]1 ZINC000166106051 823870194 /nfs/dbraw/zinc/87/01/94/823870194.db2.gz NUAAYNZMNMMTNU-JTHBVZDNSA-N 2 2 375.516 4.231 20 0 GIADLP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1Cl ZINC000126465993 823875293 /nfs/dbraw/zinc/87/52/93/823875293.db2.gz MDDAEHDJFXMPBC-ZDUSSCGKSA-N 2 2 386.883 4.097 20 0 GIADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166714504 823881729 /nfs/dbraw/zinc/88/17/29/823881729.db2.gz HDNRCOUAXJSNEC-NLFFAJNJSA-N 2 2 393.575 4.479 20 0 GIADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000414075793 823902942 /nfs/dbraw/zinc/90/29/42/823902942.db2.gz XVHZUWLRARZDFV-JKSUJKDBSA-N 2 2 387.549 4.155 20 0 GIADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000414075793 823902952 /nfs/dbraw/zinc/90/29/52/823902952.db2.gz XVHZUWLRARZDFV-JKSUJKDBSA-N 2 2 387.549 4.155 20 0 GIADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4nc(C)sc43)CC2)cc1 ZINC000575089158 823908289 /nfs/dbraw/zinc/90/82/89/823908289.db2.gz PUIWGQJDELMXEP-NRFANRHFSA-N 2 2 398.576 4.042 20 0 GIADLP Brc1cccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)c1 ZINC000414151813 823918807 /nfs/dbraw/zinc/91/88/07/823918807.db2.gz ZFRCDJYRAPBAHO-AZUAARDMSA-N 2 2 382.305 4.340 20 0 GIADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(F)c1 ZINC000126669702 823923115 /nfs/dbraw/zinc/92/31/15/823923115.db2.gz YHCBFUAHLVZCOV-CVEARBPZSA-N 2 2 389.490 4.137 20 0 GIADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)Nc1ccn2cc[nH+]c2c1 ZINC000575371004 823964343 /nfs/dbraw/zinc/96/43/43/823964343.db2.gz XCPRGEXCTKXQHB-UHFFFAOYSA-N 2 2 377.492 4.032 20 0 GIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000192629972 824050258 /nfs/dbraw/zinc/05/02/58/824050258.db2.gz ZFIXAAGHYPEGDG-INIZCTEOSA-N 2 2 383.001 4.431 20 0 GIADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414963855 824054876 /nfs/dbraw/zinc/05/48/76/824054876.db2.gz DEWCXIUVHJHAKY-HNNXBMFYSA-N 2 2 380.355 4.050 20 0 GIADLP Cc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc(C(C)C)[nH+]1 ZINC001164840487 720663709 /nfs/dbraw/zinc/66/37/09/720663709.db2.gz MUIKRFARLZWNEQ-NRFANRHFSA-N 2 2 394.563 4.168 20 0 GIADLP Cc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc(C(C)C)[nH+]1 ZINC001164840487 720663713 /nfs/dbraw/zinc/66/37/13/720663713.db2.gz MUIKRFARLZWNEQ-NRFANRHFSA-N 2 2 394.563 4.168 20 0 GIADLP Cc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(C(C)C)[nH+]1 ZINC001164837648 720711198 /nfs/dbraw/zinc/71/11/98/720711198.db2.gz FNWFDQIJLVGZCN-OAQYLSRUSA-N 2 2 394.563 4.168 20 0 GIADLP Cc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(C(C)C)[nH+]1 ZINC001164837648 720711207 /nfs/dbraw/zinc/71/12/07/720711207.db2.gz FNWFDQIJLVGZCN-OAQYLSRUSA-N 2 2 394.563 4.168 20 0 GIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cccc(C3CC3)[nH+]2)CC1 ZINC001165031146 721845091 /nfs/dbraw/zinc/84/50/91/721845091.db2.gz VEICVFPSMULJDJ-UHFFFAOYSA-N 2 2 381.520 4.077 20 0 GIADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C(C)C)c[nH+]4)CC3)C2)cc1 ZINC001164940488 721927423 /nfs/dbraw/zinc/92/74/23/721927423.db2.gz RQGHIVIJLIIKTB-UHFFFAOYSA-N 2 2 379.548 4.385 20 0 GIADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C(C)C)c[nH+]4)CC3)C2)cc1 ZINC001164940488 721927425 /nfs/dbraw/zinc/92/74/25/721927425.db2.gz RQGHIVIJLIIKTB-UHFFFAOYSA-N 2 2 379.548 4.385 20 0 GIADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000570587839 823058140 /nfs/dbraw/zinc/05/81/40/823058140.db2.gz RMYHRUQBQPLRJG-CQSZACIVSA-N 2 2 394.382 4.393 20 0 GIADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000570587839 823058148 /nfs/dbraw/zinc/05/81/48/823058148.db2.gz RMYHRUQBQPLRJG-CQSZACIVSA-N 2 2 394.382 4.393 20 0 GIADLP COc1cccc(C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C2CC2)c1 ZINC000121022126 823104358 /nfs/dbraw/zinc/10/43/58/823104358.db2.gz PBAQQMXOZUGBHK-HSZRJFAPSA-N 2 2 375.516 4.093 20 0 GIADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCCS2 ZINC000187793263 823134157 /nfs/dbraw/zinc/13/41/57/823134157.db2.gz AFULYKVGDCUSDY-JOCHJYFZSA-N 2 2 398.572 4.244 20 0 GIADLP Cc1cc(F)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000459467815 823198435 /nfs/dbraw/zinc/19/84/35/823198435.db2.gz QKZDJVLVNZSCOB-GOSISDBHSA-N 2 2 376.903 4.034 20 0 GIADLP Cc1cc(F)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000459467815 823198440 /nfs/dbraw/zinc/19/84/40/823198440.db2.gz QKZDJVLVNZSCOB-GOSISDBHSA-N 2 2 376.903 4.034 20 0 GIADLP Cc1cc(F)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000459467816 823198659 /nfs/dbraw/zinc/19/86/59/823198659.db2.gz QKZDJVLVNZSCOB-SFHVURJKSA-N 2 2 376.903 4.034 20 0 GIADLP Cc1cc(F)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000459467816 823198662 /nfs/dbraw/zinc/19/86/62/823198662.db2.gz QKZDJVLVNZSCOB-SFHVURJKSA-N 2 2 376.903 4.034 20 0 GIADLP C[C@@H]1CN(c2ccccc2C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCO1 ZINC000459568980 823222415 /nfs/dbraw/zinc/22/24/15/823222415.db2.gz LHTNOUKEVNRJOG-QGZVFWFLSA-N 2 2 396.922 4.041 20 0 GIADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000122343165 823341295 /nfs/dbraw/zinc/34/12/95/823341295.db2.gz YRSUEOKXHXZSGB-IBGZPJMESA-N 2 2 389.547 4.258 20 0 GIADLP C[C@H](c1cccc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)c1)[NH+]1CCOCC1 ZINC000572479753 823347277 /nfs/dbraw/zinc/34/72/77/823347277.db2.gz IDRPIBKFSVHGDM-NQIIRXRSSA-N 2 2 387.568 4.096 20 0 GIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189212235 823376995 /nfs/dbraw/zinc/37/69/95/823376995.db2.gz ORFBKRUUVGKULA-IBGZPJMESA-N 2 2 392.522 4.386 20 0 GIADLP CC(C)[C@@H](CC1CCCCC1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460488923 823406022 /nfs/dbraw/zinc/40/60/22/823406022.db2.gz JEIIZBUJCJURIE-JOCHJYFZSA-N 2 2 391.644 4.296 20 0 GIADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)nnn1-c1ccc(F)cc1 ZINC000123040392 823451758 /nfs/dbraw/zinc/45/17/58/823451758.db2.gz GDVFKLQSNOMACR-QGZVFWFLSA-N 2 2 393.510 4.161 20 0 GIADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)nnn1-c1ccc(F)cc1 ZINC000123040561 823451772 /nfs/dbraw/zinc/45/17/72/823451772.db2.gz GDVFKLQSNOMACR-KRWDZBQOSA-N 2 2 393.510 4.161 20 0 GIADLP Clc1ccccc1C1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCOCC1 ZINC000180677570 821392287 /nfs/dbraw/zinc/39/22/87/821392287.db2.gz CNTKMPBLGSENOY-UHFFFAOYSA-N 2 2 399.966 4.037 20 0 GIADLP C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180690238 821396515 /nfs/dbraw/zinc/39/65/15/821396515.db2.gz YRKILQSZXVQXJH-KUHUBIRLSA-N 2 2 375.394 4.275 20 0 GIADLP C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180902055 821526061 /nfs/dbraw/zinc/52/60/61/821526061.db2.gz BMVWUBDOFBJZKA-OAHLLOKOSA-N 2 2 393.878 4.469 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)on1 ZINC000181134357 821654318 /nfs/dbraw/zinc/65/43/18/821654318.db2.gz FLRPOWSLERYHIN-FUHWJXTLSA-N 2 2 379.504 4.418 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)on1 ZINC000181134357 821654322 /nfs/dbraw/zinc/65/43/22/821654322.db2.gz FLRPOWSLERYHIN-FUHWJXTLSA-N 2 2 379.504 4.418 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC000181134357 821654329 /nfs/dbraw/zinc/65/43/29/821654329.db2.gz FLRPOWSLERYHIN-FUHWJXTLSA-N 2 2 379.504 4.418 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)on1 ZINC000181134357 821654334 /nfs/dbraw/zinc/65/43/34/821654334.db2.gz FLRPOWSLERYHIN-FUHWJXTLSA-N 2 2 379.504 4.418 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)on1 ZINC000181134387 821654382 /nfs/dbraw/zinc/65/43/82/821654382.db2.gz FLRPOWSLERYHIN-WMZOPIPTSA-N 2 2 379.504 4.418 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)on1 ZINC000181134387 821654384 /nfs/dbraw/zinc/65/43/84/821654384.db2.gz FLRPOWSLERYHIN-WMZOPIPTSA-N 2 2 379.504 4.418 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC000181134387 821654387 /nfs/dbraw/zinc/65/43/87/821654387.db2.gz FLRPOWSLERYHIN-WMZOPIPTSA-N 2 2 379.504 4.418 20 0 GIADLP COc1ccc2ccccc2c1-c1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)on1 ZINC000181134387 821654389 /nfs/dbraw/zinc/65/43/89/821654389.db2.gz FLRPOWSLERYHIN-WMZOPIPTSA-N 2 2 379.504 4.418 20 0 GIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(Cl)nc2)cc1 ZINC000181233452 821710391 /nfs/dbraw/zinc/71/03/91/821710391.db2.gz HDMRCHZYOAPSTP-UHFFFAOYSA-N 2 2 384.911 4.423 20 0 GIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(Cl)nc2)cc1 ZINC000181233452 821710397 /nfs/dbraw/zinc/71/03/97/821710397.db2.gz HDMRCHZYOAPSTP-UHFFFAOYSA-N 2 2 384.911 4.423 20 0 GIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000181280969 821732444 /nfs/dbraw/zinc/73/24/44/821732444.db2.gz MKIOVAASHGEBPA-APWZRJJASA-N 2 2 393.453 4.023 20 0 GIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000181280969 821732449 /nfs/dbraw/zinc/73/24/49/821732449.db2.gz MKIOVAASHGEBPA-APWZRJJASA-N 2 2 393.453 4.023 20 0 GIADLP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431977 821823639 /nfs/dbraw/zinc/82/36/39/821823639.db2.gz FATOSBCDZMBIHO-UWVAXJGDSA-N 2 2 387.593 4.344 20 0 GIADLP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431977 821823650 /nfs/dbraw/zinc/82/36/50/821823650.db2.gz FATOSBCDZMBIHO-UWVAXJGDSA-N 2 2 387.593 4.344 20 0 GIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000181586124 821891238 /nfs/dbraw/zinc/89/12/38/821891238.db2.gz BOZCJSBBWQSLJK-UXHICEINSA-N 2 2 389.547 4.203 20 0 GIADLP CC(C)[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000182009306 822061071 /nfs/dbraw/zinc/06/10/71/822061071.db2.gz ZSYYREWCJXMYHS-HXUWFJFHSA-N 2 2 390.934 4.113 20 0 GIADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182092902 822090817 /nfs/dbraw/zinc/09/08/17/822090817.db2.gz GHPJVLKXGQWIFH-JOCHJYFZSA-N 2 2 391.563 4.045 20 0 GIADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182092902 822090821 /nfs/dbraw/zinc/09/08/21/822090821.db2.gz GHPJVLKXGQWIFH-JOCHJYFZSA-N 2 2 391.563 4.045 20 0 GIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Cl)sc1Cl ZINC000182268712 822179762 /nfs/dbraw/zinc/17/97/62/822179762.db2.gz OCKWMDJBJQYYQV-DOMZBBRYSA-N 2 2 385.360 4.472 20 0 GIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)sc1Cl ZINC000182268712 822179772 /nfs/dbraw/zinc/17/97/72/822179772.db2.gz OCKWMDJBJQYYQV-DOMZBBRYSA-N 2 2 385.360 4.472 20 0 GIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2sc(C)cc2Br)[C@H](C)C1 ZINC000453592371 822390105 /nfs/dbraw/zinc/39/01/05/822390105.db2.gz RCXIXUNJVHOZKS-CJNGLKHVSA-N 2 2 389.403 4.046 20 0 GIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2sc(C)cc2Br)[C@H](C)C1 ZINC000453592371 822390111 /nfs/dbraw/zinc/39/01/11/822390111.db2.gz RCXIXUNJVHOZKS-CJNGLKHVSA-N 2 2 389.403 4.046 20 0 GIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC3 ZINC000180068971 822608679 /nfs/dbraw/zinc/60/86/79/822608679.db2.gz NJBMYYHYYCWBPU-HXUWFJFHSA-N 2 2 384.527 4.411 20 0 GIADLP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000180171766 822631937 /nfs/dbraw/zinc/63/19/37/822631937.db2.gz QAPAYJCHOKUUGF-CRHVVPOVSA-N 2 2 386.486 4.438 20 0 GIADLP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000180171766 822631940 /nfs/dbraw/zinc/63/19/40/822631940.db2.gz QAPAYJCHOKUUGF-CRHVVPOVSA-N 2 2 386.486 4.438 20 0 GIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000180405326 822676415 /nfs/dbraw/zinc/67/64/15/822676415.db2.gz UMYULUOIYKTXJD-GFCCVEGCSA-N 2 2 378.410 4.413 20 0 GIADLP CCc1cccc(C)c1NC(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174393413 822783170 /nfs/dbraw/zinc/78/31/70/822783170.db2.gz ZTNAYFKNSHWOIN-UHFFFAOYSA-N 2 2 394.563 4.129 20 0 GIADLP CCc1cccc(C)c1NC(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174393413 822783175 /nfs/dbraw/zinc/78/31/75/822783175.db2.gz ZTNAYFKNSHWOIN-UHFFFAOYSA-N 2 2 394.563 4.129 20 0 GIADLP C[C@@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709159 822812605 /nfs/dbraw/zinc/81/26/05/822812605.db2.gz MVRFSJAEXJSTSS-KGLIPLIRSA-N 2 2 381.351 4.384 20 0 GIADLP C[C@@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709159 822812608 /nfs/dbraw/zinc/81/26/08/822812608.db2.gz MVRFSJAEXJSTSS-KGLIPLIRSA-N 2 2 381.351 4.384 20 0 GIADLP COc1ccccc1[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)OC(C)C ZINC000186379317 822884885 /nfs/dbraw/zinc/88/48/85/822884885.db2.gz CFDOZOAPPGGBCF-IBGZPJMESA-N 2 2 388.474 4.168 20 0 GIADLP Cn1cc([C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c2ccccc2)cn1 ZINC000569891934 822981565 /nfs/dbraw/zinc/98/15/65/822981565.db2.gz HCZQSINOGNWJEI-RCZVLFRGSA-N 2 2 388.559 4.401 20 0 GIADLP Cn1cc([C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cn1 ZINC000569891934 822981570 /nfs/dbraw/zinc/98/15/70/822981570.db2.gz HCZQSINOGNWJEI-RCZVLFRGSA-N 2 2 388.559 4.401 20 0 GIADLP Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1O ZINC000187006063 822996032 /nfs/dbraw/zinc/99/60/32/822996032.db2.gz VBPAOXCWXXJSNZ-AWEZNQCLSA-N 2 2 390.325 4.178 20 0 GIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000570423302 823036060 /nfs/dbraw/zinc/03/60/60/823036060.db2.gz UVRQWRYEHHOGGR-OAQYLSRUSA-N 2 2 384.495 4.083 20 0 GIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000570423302 823036065 /nfs/dbraw/zinc/03/60/65/823036065.db2.gz UVRQWRYEHHOGGR-OAQYLSRUSA-N 2 2 384.495 4.083 20 0 GIADLP CCOc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OCC ZINC000175784751 823039654 /nfs/dbraw/zinc/03/96/54/823039654.db2.gz YPIGQIRWSVAZBG-UHFFFAOYSA-N 2 2 397.563 4.018 20 0 GIADLP CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OCC ZINC000175784751 823039659 /nfs/dbraw/zinc/03/96/59/823039659.db2.gz YPIGQIRWSVAZBG-UHFFFAOYSA-N 2 2 397.563 4.018 20 0 GIADLP Cc1nc(C[NH+]2CCC(CNc3cc(C)c4ccc(C)cc4[nH+]3)CC2)oc1C ZINC000460964659 823551865 /nfs/dbraw/zinc/55/18/65/823551865.db2.gz VMEWIVGUQMCJSY-UHFFFAOYSA-N 2 2 378.520 4.202 20 0 GIADLP C[C@H](c1nccs1)N1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411549762 823587596 /nfs/dbraw/zinc/58/75/96/823587596.db2.gz HTHAASNSMLQNIM-LJQANCHMSA-N 2 2 384.593 4.008 20 0 GIADLP C[C@@H](c1nccs1)N1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411550009 823587615 /nfs/dbraw/zinc/58/76/15/823587615.db2.gz IYVRJDWIXPOMFR-IBGZPJMESA-N 2 2 384.593 4.008 20 0 GIADLP Fc1cc(-c2ncco2)ccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000411665098 823595822 /nfs/dbraw/zinc/59/58/22/823595822.db2.gz GUEOVBLTZFWKJU-UHFFFAOYSA-N 2 2 380.467 4.393 20 0 GIADLP CCc1sc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124569597 823607310 /nfs/dbraw/zinc/60/73/10/823607310.db2.gz UHWANMZNXIIOQO-OALUTQOASA-N 2 2 391.625 4.028 20 0 GIADLP CCc1sc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000124569597 823607313 /nfs/dbraw/zinc/60/73/13/823607313.db2.gz UHWANMZNXIIOQO-OALUTQOASA-N 2 2 391.625 4.028 20 0 GIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)Cn2cc[nH+]c2)o1 ZINC000062254575 823626726 /nfs/dbraw/zinc/62/67/26/823626726.db2.gz CTMUHTGXDOZXNA-KRWDZBQOSA-N 2 2 375.476 4.063 20 0 GIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000062254525 823626788 /nfs/dbraw/zinc/62/67/88/823626788.db2.gz NFGFUVOFIDMCHR-FQEVSTJZSA-N 2 2 385.515 4.470 20 0 GIADLP Cc1cc(C)c(N2CC[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2=O)c(C)c1 ZINC000190974384 823632979 /nfs/dbraw/zinc/63/29/79/823632979.db2.gz CIQGVDLBMAPYEK-QFIPXVFZSA-N 2 2 383.580 4.104 20 0 GIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000191187989 823657564 /nfs/dbraw/zinc/65/75/64/823657564.db2.gz DGUSIBAPTFEQKL-UHFFFAOYSA-N 2 2 386.499 4.387 20 0 GIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000191187989 823657568 /nfs/dbraw/zinc/65/75/68/823657568.db2.gz DGUSIBAPTFEQKL-UHFFFAOYSA-N 2 2 386.499 4.387 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000191506795 823693046 /nfs/dbraw/zinc/69/30/46/823693046.db2.gz KDCSTQFQWSIBBE-UHFFFAOYSA-N 2 2 377.536 4.032 20 0 GIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000191506795 823693047 /nfs/dbraw/zinc/69/30/47/823693047.db2.gz KDCSTQFQWSIBBE-UHFFFAOYSA-N 2 2 377.536 4.032 20 0 GIADLP CCCCn1c(SC[C@H]2CCCC[N@@H+]2C(C)C)nnc1[C@@H](CC)[NH+](C)C ZINC000412979824 823696566 /nfs/dbraw/zinc/69/65/66/823696566.db2.gz DCFUZHJYTNHQBM-QZTJIDSGSA-N 2 2 381.634 4.446 20 0 GIADLP CCCCn1c(SC[C@H]2CCCC[N@H+]2C(C)C)nnc1[C@@H](CC)[NH+](C)C ZINC000412979824 823696567 /nfs/dbraw/zinc/69/65/67/823696567.db2.gz DCFUZHJYTNHQBM-QZTJIDSGSA-N 2 2 381.634 4.446 20 0 GIADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831528 823789420 /nfs/dbraw/zinc/78/94/20/823789420.db2.gz AIPSZPHHYKPHHR-PXNSSMCTSA-N 2 2 381.545 4.238 20 0 GIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831528 823789427 /nfs/dbraw/zinc/78/94/27/823789427.db2.gz AIPSZPHHYKPHHR-PXNSSMCTSA-N 2 2 381.545 4.238 20 0 GIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2Br)cn1 ZINC000126351075 823846338 /nfs/dbraw/zinc/84/63/38/823846338.db2.gz FQTBHUJGNFEHSF-GFCCVEGCSA-N 2 2 389.272 4.328 20 0 GIADLP CN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165544141 823853138 /nfs/dbraw/zinc/85/31/38/823853138.db2.gz WETWTRVWYZGRLW-PMACEKPBSA-N 2 2 392.975 4.141 20 0 GIADLP CN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165544141 823853146 /nfs/dbraw/zinc/85/31/46/823853146.db2.gz WETWTRVWYZGRLW-PMACEKPBSA-N 2 2 392.975 4.141 20 0 GIADLP CCOc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC ZINC000574943592 823867083 /nfs/dbraw/zinc/86/70/83/823867083.db2.gz APHXSYTUODZASB-DEOSSOPVSA-N 2 2 380.532 4.192 20 0 GIADLP CCOc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC ZINC000574943592 823867087 /nfs/dbraw/zinc/86/70/87/823867087.db2.gz APHXSYTUODZASB-DEOSSOPVSA-N 2 2 380.532 4.192 20 0 GIADLP CCOc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC000574943592 823867091 /nfs/dbraw/zinc/86/70/91/823867091.db2.gz APHXSYTUODZASB-DEOSSOPVSA-N 2 2 380.532 4.192 20 0 GIADLP CCOc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC000574943592 823867095 /nfs/dbraw/zinc/86/70/95/823867095.db2.gz APHXSYTUODZASB-DEOSSOPVSA-N 2 2 380.532 4.192 20 0 GIADLP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1OCC ZINC000126494388 823883890 /nfs/dbraw/zinc/88/38/90/823883890.db2.gz HVSPHRPZPLZSFV-MRXNPFEDSA-N 2 2 380.492 4.224 20 0 GIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000192168323 823889088 /nfs/dbraw/zinc/88/90/88/823889088.db2.gz GRBDGGCVLIAENO-UHFFFAOYSA-N 2 2 389.425 4.233 20 0 GIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105333 823910960 /nfs/dbraw/zinc/91/09/60/823910960.db2.gz GODCFBPQYHPKEY-UTKZUKDTSA-N 2 2 393.556 4.228 20 0 GIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105333 823910965 /nfs/dbraw/zinc/91/09/65/823910965.db2.gz GODCFBPQYHPKEY-UTKZUKDTSA-N 2 2 393.556 4.228 20 0 GIADLP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1csc(-c2ccccc2)n1 ZINC000414165567 823921793 /nfs/dbraw/zinc/92/17/93/823921793.db2.gz PUXLNWLLCSMYNH-KRWDZBQOSA-N 2 2 396.560 4.386 20 0 GIADLP CC[N@H+](CCC1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1)CC(C)C ZINC000575203427 823937977 /nfs/dbraw/zinc/93/79/77/823937977.db2.gz AJBHOBPHLZNIEJ-UHFFFAOYSA-N 2 2 396.579 4.152 20 0 GIADLP CC[N@@H+](CCC1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1)CC(C)C ZINC000575203427 823937986 /nfs/dbraw/zinc/93/79/86/823937986.db2.gz AJBHOBPHLZNIEJ-UHFFFAOYSA-N 2 2 396.579 4.152 20 0 GIADLP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1C(F)(F)F ZINC000414319359 823957339 /nfs/dbraw/zinc/95/73/39/823957339.db2.gz ZAOHSRKJKMNPFM-UHFFFAOYSA-N 2 2 378.438 4.136 20 0 GIADLP [NH3+]C1(CNC2CC[NH+](Cc3ccccc3Br)CC2)CCCCCC1 ZINC000414860370 824042951 /nfs/dbraw/zinc/04/29/51/824042951.db2.gz PNYKAWJYFADZBA-UHFFFAOYSA-N 2 2 394.401 4.055 20 0 GIADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)c1C ZINC000414939855 824052318 /nfs/dbraw/zinc/05/23/18/824052318.db2.gz JXWWCEWIIQRTBV-GAJHUEQPSA-N 2 2 375.516 4.463 20 0 GIADLP