smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[N@@H+]1CCS(=O)(=O)N(Cc2ccc(Br)cc2)[C@@H](C(C)C)C1	ZINC000061944736	206215068	/nfs/dbraw/zinc/21/50/68/206215068.db2.gz	ZANMSWMZLXXXCT-QGZVFWFLSA-N	1	2	399.354	2.554	3	30		GFEFLO
C#CC[N@H+]1CCS(=O)(=O)N(Cc2ccc(Br)cc2)[C@@H](C(C)C)C1	ZINC000061944736	206215071	/nfs/dbraw/zinc/21/50/71/206215071.db2.gz	ZANMSWMZLXXXCT-QGZVFWFLSA-N	1	2	399.354	2.554	3	30		GFEFLO
N#Cc1cn(Cc2ccccc2)c2ncc(C(=O)NCCCn3cc[nH+]c3)cc12	ZINC000072323752	205325121	/nfs/dbraw/zinc/32/51/21/205325121.db2.gz	CZRMFAOYWGITGV-UHFFFAOYSA-N	1	2	384.443	2.973	2	30		GFEFLO
N#Cc1ccc2cc1Oc1cccc(c1)CN1CC[C@@H]([NH2+]Cc3cncn3C2)C1=O	ZINC000003934651	204021263	/nfs/dbraw/zinc/02/12/63/204021263.db2.gz	PCMOPVSFMUOUFR-OAQYLSRUSA-N	1	2	399.454	2.799	1	30		GFEFLO
NC(=[NH2+])NN=C1CCc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21	ZINC000045288396	205094949	/nfs/dbraw/zinc/09/49/49/205094949.db2.gz	XFVLJBYXDFILMX-FCDQGJHFSA-N	1	2	393.472	2.774	1	30		GFEFLO
C=CCNC(=O)[C@@H](CCCC)N(CCCn1cc[nH+]c1)C(=O)c1cccnc1	ZINC000028952879	206255533	/nfs/dbraw/zinc/25/55/33/206255533.db2.gz	LOGOPEDJSQXXIS-LJQANCHMSA-N	1	2	383.496	2.672	1	30		GFEFLO
CC(C)(CO)[NH2+]Cc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1	ZINC000028701854	207346518	/nfs/dbraw/zinc/34/65/18/207346518.db2.gz	AMIZSFRPEJZLFK-OAHLLOKOSA-N	1	2	382.505	2.660	1	30		GFEFLO
N#Cc1ccc2c3c(n(CCC[NH+]4CCOCC4)c(=O)c2c1)-c1ccccc1C3=O	ZINC000095594977	208235765	/nfs/dbraw/zinc/23/57/65/208235765.db2.gz	FZBCOKCSHBGUCP-UHFFFAOYSA-N	1	2	399.450	2.807	1	30		GFEFLO
COc1ccc(C2(C#N)CC[NH+]([C@@H](C)C(=O)NO)CC2)cc1OC1CCCC1	ZINC000013588513	206982767	/nfs/dbraw/zinc/98/27/67/206982767.db2.gz	NSYYFQMQNAQQGB-HNNXBMFYSA-N	1	2	387.480	2.768	1	30		GFEFLO
NC(=[NH2+])Nc1nc(C(=O)Nc2nc3cccc(C(F)(F)F)c3s2)cs1	ZINC000029570855	207365405	/nfs/dbraw/zinc/36/54/05/207365405.db2.gz	VHHAMWKQZNIYCB-UHFFFAOYSA-N	1	2	386.384	2.929	1	30		GFEFLO
C[C@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)NC(=[NH2+])OCC1(F)F	ZINC000095602954	211282019	/nfs/dbraw/zinc/28/20/19/211282019.db2.gz	DVMUZHLUMHPCGZ-QGZVFWFLSA-N	1	2	389.337	2.540	1	30	in-vitro	GFEFLO
C#Cc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=[NH2+])OCC3(F)F)c2)nc1	ZINC000095601107	212068842	/nfs/dbraw/zinc/06/88/42/212068842.db2.gz	CQEOGCIXQLQZTF-GOSISDBHSA-N	1	2	388.349	2.650	1	30		GFEFLO
C=CCc1c2cc(OC)ccc2n(C2N=NC(=S)N[C@@H]2[NH3+])c1-c1ccccc1	ZINC000169346628	212113613	/nfs/dbraw/zinc/11/36/13/212113613.db2.gz	XKKZLJIBDCKKBT-IBGZPJMESA-N	1	2	391.500	2.970	1	30		GFEFLO
C#CC[N@@H+]1CCS(=O)(=O)N(Cc2ccc(Br)cc2)[C@H](C(C)C)C1	ZINC000061944735	222064080	/nfs/dbraw/zinc/06/40/80/222064080.db2.gz	ZANMSWMZLXXXCT-KRWDZBQOSA-N	1	2	399.354	2.554	3	30		GFEFLO
C#CC[N@H+]1CCS(=O)(=O)N(Cc2ccc(Br)cc2)[C@H](C(C)C)C1	ZINC000061944735	222064082	/nfs/dbraw/zinc/06/40/82/222064082.db2.gz	ZANMSWMZLXXXCT-KRWDZBQOSA-N	1	2	399.354	2.554	3	30		GFEFLO
CC(C)NC(O)=NS(=O)(=O)c1ccc(OCCCC[NH+]2CCCCC2)cc1	ZINC000084632242	222317477	/nfs/dbraw/zinc/31/74/77/222317477.db2.gz	ULBVTLJLKMZRBO-UHFFFAOYSA-N	1	2	397.541	2.932	1	30		GFEFLO
N#Cc1ccc(C(=O)Nc2ccc(F)c([C@]3(C(F)F)CCOC(=[NH2+])N3)c2)nc1	ZINC000072315369	205324893	/nfs/dbraw/zinc/32/48/93/205324893.db2.gz	ZQBDXEARYNLKKR-SFHVURJKSA-N	1	2	389.337	2.540	1	30	in-vitro	GFEFLO
COc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C#Cc1ccccn1	ZINC000066252248	206226445	/nfs/dbraw/zinc/22/64/45/206226445.db2.gz	IHELWHOGIXQUBH-UHFFFAOYSA-N	1	2	398.466	2.847	1	30	in-vivo	GFEFLO
CCOc1ccc2nc3c(cc2c1)CN(CCCO)/C(=[NH+]\CCOC)S3	ZINC000013116505	210052351	/nfs/dbraw/zinc/05/23/51/210052351.db2.gz	DNLHLTHAHUZYPU-FMQUCBEESA-N	1	2	375.494	2.926	3	30		GFEFLO
C=CCNC(=O)[C@H](CCCC)N(CCCn1cc[nH+]c1)C(=O)c1cccnc1	ZINC000028952881	209179321	/nfs/dbraw/zinc/17/93/21/209179321.db2.gz	LOGOPEDJSQXXIS-IBGZPJMESA-N	1	2	383.496	2.672	1	30		GFEFLO
COc1ccc(NC2=C(N3CC[NH+](C)CC3)C(=O)c3ccccc3C2=O)cc1	ZINC000169304365	211634157	/nfs/dbraw/zinc/63/41/57/211634157.db2.gz	KUQLWIUBNGTWAY-UHFFFAOYSA-N	1	2	377.444	2.645	1	30		GFEFLO
C=CC[NH+]1CCN(Cc2nc3c(ccc4c3C(=O)c3ccccc3C4=O)[nH]2)CC1	ZINC000095587541	212068894	/nfs/dbraw/zinc/06/88/94/212068894.db2.gz	PZWWNIAADDLQMD-UHFFFAOYSA-N	1	2	386.455	2.642	1	30		GFEFLO
C=CC[N@@H+](Cc1cn(C)nc1-c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000013596607	209163280	/nfs/dbraw/zinc/16/32/80/209163280.db2.gz	ADPHJKOVHBPFQN-QGZVFWFLSA-N	1	2	379.913	2.916	3	30		GFEFLO
C=CC[N@H+](Cc1cn(C)nc1-c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000013596607	209163283	/nfs/dbraw/zinc/16/32/83/209163283.db2.gz	ADPHJKOVHBPFQN-QGZVFWFLSA-N	1	2	379.913	2.916	3	30		GFEFLO
Cc1c[nH+]cc(C)c1COc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1	ZINC000027555483	581091699	/nfs/dbraw/zinc/09/16/99/581091699.db2.gz	YBFNSQBHQFSVAT-ZHRRBRCNSA-N	1	2	397.475	2.661	1	30		GFEFLO
N#Cc1ccc2cc1Oc1cccc(c1)CN1CCN(Cc3c[nH+]cn3C2)CC1=O	ZINC000013589236	221275471	/nfs/dbraw/zinc/27/54/71/221275471.db2.gz	LNGVYELZGYGYAE-UHFFFAOYSA-N	1	2	399.454	2.753	1	30		GFEFLO
N#Cc1ccc(C(=O)N2CCC3(CC2)NC(=[NH2+])c2c(F)ccc(F)c2N3)cc1	ZINC000013493552	221270767	/nfs/dbraw/zinc/27/07/67/221270767.db2.gz	SYBIKAPEJWFEAV-UHFFFAOYSA-N	1	2	381.386	2.600	1	30		GFEFLO
COc1nc(NCC#N)nc(-n2c3ccccc3[nH+]c2Nc2cccc(O)c2)n1	ZINC000071317435	222180639	/nfs/dbraw/zinc/18/06/39/222180639.db2.gz	KBAFRYQOOQHQKY-UHFFFAOYSA-N	1	2	388.391	2.604	1	30		GFEFLO
CC(C)NC(O)=NS(=O)(=O)c1ccc(OCCCC[NH+]2CCCC2)cc1	ZINC000084603132	222318809	/nfs/dbraw/zinc/31/88/09/222318809.db2.gz	QLZIXVQVKSLLGB-UHFFFAOYSA-N	1	2	383.514	2.542	1	30		GFEFLO